(3-Isopropyl-1,2,4-oxadiazol-5-yl)methanol - CAS 915925-45-0

Name: (3-Isopropyl-1,2,4-oxadiazol-5-yl)methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040276
Product Name:	(3-Isopropyl-1,2,4-oxadiazol-5-yl)methanol
CAS:	915925-45-0
Synonyms:	(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol

Technical Data

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Patents

Computed Properties

IUPAC Name:	(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
Description:	(3-Isopropyl-1,2,4-oxadiazol-5-yl)methanol (CAS# 915925-45-0) is a useful research chemical.
Molecular Weight:	142.16
Molecular Formula:	C6H10N2O2
Canonical SMILES:	CC(C)C1=NOC(=N1)CO
InChI:	InChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3
InChI Key:	PQDUJWGQTSTVOA-UHFFFAOYSA-N
Boiling Point:	252.3 °C at 760 mmHg
Purity:	95 %
Density:	1.159 g/cm³
MDL:	MFCD08691641
LogP:	0.68530

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Related Functional Groups

Oxadiazole/Thiadiazole

[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]C9H9BrN4O3
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate
[37760-54-6]C11H10N2O3
Ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
[4970-53-0]C5H7N3O3
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2017049734-A1	Quantitative peri-orbital application of ophthalmology drugs	20150819
US-9820954-B2	Quantitative peri-orbital application of ophthalmology drugs	20150819
WO-2017031137-A1	Quantitative peri-orbital application of ophthalmology drugs	20150819
KR-20130015727-A	Substituted Azetidine Derivatives and Pharmaceutical Compositions Comprising the Same	20110804
US-2014249159-A1	Heterocyclic compounds	20110517

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.074227566
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5