5-Methyl-3-(2-pyrrolidinyl)isoxazole - CAS 1000932-34-2

Catalog:	BB000075
Product Name:	5-Methyl-3-(2-pyrrolidinyl)isoxazole
CAS:	1000932-34-2
Synonyms:	5-methyl-3-pyrrolidin-2-yl-1,2-oxazole

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-3-pyrrolidin-2-yl-1,2-oxazole
Description:	5-Methyl-3-(2-pyrrolidinyl)isoxazole (CAS# 1000932-34-2) is a useful research chemical.
Molecular Weight:	152.19
Molecular Formula:	C8H12N2O
Canonical SMILES:	CC1=CC(=NO1)C2CCCN2
InChI:	InChI=1S/C8H12N2O/c1-6-5-8(10-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChI Key:	QHCHHBRSMFGRQX-UHFFFAOYSA-N
Purity:	95 %
MDL:	MFCD09863362
LogP:	1.73630

Publication Number	Title	Priority Date
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
CA-3015005-A1	6-heterocyclyl-4-morpholin-4-ylpyridine-2-one compounds useful for the treatment of cancer and diabetes	20160219
EP-3416957-A1	6-heterocyclyl-4-morpholin-4-ylpyridine-2-one compounds useful for the treatment of cancer and diabetes	20160219
EP-3416957-B1	6-heterocyclyl-4-morpholin-4-ylpyridin-2-one compounds useful for the treatment of cancer and diabetes	20160219

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Related Functional Groups

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[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
[1319738-39-0]
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[5747-92-2]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.094963011
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7