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2-cyclopropyl-1,3-oxazole-4-carboxylic acid

2-cyclopropyl-1,3-oxazole-4-carboxylic acid - CAS 1060816-04-7

Name: 2-cyclopropyl-1,3-oxazole-4-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001803
Product Name:	2-cyclopropyl-1,3-oxazole-4-carboxylic acid
CAS:	1060816-04-7
Synonyms:	2-cyclopropyl-4-oxazolecarboxylic acid; 2-cyclopropyl-1,3-oxazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-cyclopropyl-1,3-oxazole-4-carboxylic acid
Description:	2-cyclopropyl-1,3-oxazole-4-carboxylic acid (CAS# 1060816-04-7) is used in the preparation of benzamide derivatives for the use in the treatment of fertility disorders.
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	C1CC1C2=NC(=CO2)C(=O)O
InChI:	InChI=1S/C7H7NO3/c9-7(10)5-3-11-6(8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChI Key:	BDAWHHUYCSZZAG-UHFFFAOYSA-N
Purity:	95 %
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD12026856
LogP:	1.25020

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2018283331-A1	Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders	20170614
CA-3066942-A1	Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders	20170614
CN-110167944-A	Substituted pyrazolo azepine * -4- ketone and its purposes as phosphodiesterase inhibitors	20161212
TW-201725202-A	Novel substituted carbazole, its preparation method, pharmaceutical preparation containing the same, and use thereof	20151222
WO-2017108744-A1	Novel substituted indazoles, methods for producing same, pharmaceutical preparations that contain same, and use of same to produce drugs	20151222

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8