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

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

Safety and Hazards

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

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

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Related Functional Groups

Oxadiazole/Thiadiazole

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Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
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Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

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