2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole - CAS 33575-83-6

Catalog:	BB021782
Product Name:	2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
CAS:	33575-83-6
Synonyms:	2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole
Description:	2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole (CAS# 33575-83-6) is a useful research chemical compound.
Molecular Weight:	194.62
Molecular Formula:	C9H7ClN2O
Canonical SMILES:	C1=CC=C(C=C1)C2=NN=C(O2)CCl
InChI:	InChI=1S/C9H7ClN2O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:	AGLNTFQAHIRTFA-UHFFFAOYSA-N
Boiling Point:	316.9 °C at 760 mmHg
Density:	1.283 g/cm³
Appearance:	Powder
MDL:	MFCD00466332
LogP:	2.47540

Publication Number	Title	Priority Date
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
US-2021017169-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
CN-109810071-A	A kind of miRNA biosynthesis inhibitor	20190328
CN-111548319-A	1, 1-dicyano oxime ether compound and application thereof	20190211
WO-2020164403-A1	1,1-dicyano-oxime-ether compound and application thereof	20190211

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Related Functional Groups

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1170931-46-0]
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0246905
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.0246905
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8