Methyl 2-methyloxazole-4-carboxylate - CAS 85806-67-3

Catalog:	BB037728
Product Name:	Methyl 2-methyloxazole-4-carboxylate
CAS:	85806-67-3
Synonyms:	methyl 2-methyl-1,3-oxazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-methyl-1,3-oxazole-4-carboxylate
Description:	Methyl 2-methyloxazole-4-carboxylate (CAS# 85806-67-3) is a useful research chemical.
Molecular Weight:	141.12
Molecular Formula:	C6H7NO3
Canonical SMILES:	CC1=NC(=CO1)C(=O)OC
InChI:	InChI=1S/C6H7NO3/c1-4-7-5(3-10-4)6(8)9-2/h3H,1-2H3
InChI Key:	NBBUIANVONUUEM-UHFFFAOYSA-N
Boiling Point:	191.052 °C at 760 mmHg
Purity:	97 %
Density:	1.18 g/cm³
MDL:	MFCD03265460
LogP:	0.76960

Publication Number	Title	Priority Date
US-10934261-B2	Calpain modulators and therapeutic uses thereof	20160928
US-2019330181-A1	Hemoglobin modifier compounds and uses thereof	20160617
WO-2017218960-A1	Hemoglobin modifier compounds and uses thereof	20160617
US-10787430-B2	Hemoglobin modifier compounds and uses thereof	20160617
WO-2017189866-A1	Polymyxin analogs useful as antibiotic potentiators	20160427

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1018165-66-6]
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[3973-08-8]
4-Thiazolecarboxylic acid
[852227-91-9]
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.042593085
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9