5-Isoxazolemethanamine - CAS 401647-18-5

Catalog:	BB024344
Product Name:	5-Isoxazolemethanamine
CAS:	401647-18-5
Synonyms:	5-isoxazolylmethanamine; 1,2-oxazol-5-ylmethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2-oxazol-5-ylmethanamine
Description:	5-Isoxazolemethanamine (CAS# 401647-18-5) is a useful research chemical.
Molecular Weight:	98.10
Molecular Formula:	C4H6N2O
Canonical SMILES:	C1=C(ON=C1)CN
InChI:	InChI=1S/C4H6N2O/c5-3-4-1-2-6-7-4/h1-2H,3,5H2
InChI Key:	OYNWFDBANWIYDA-UHFFFAOYSA-N
Boiling Point:	206.994 °C at 760 mmHg
Density:	1.148 g/cm³
LogP:	0.83360

Publication Number	Title	Priority Date
WO-2021050700-A1	Cyclooxygenase-2 inhibitors and uses thereof	20190913
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
TW-202120507-A	Tricyclic akr1c3 dependent kars inhibitors	20190801
WO-2020123395-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
TW-202039487-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210

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Related Functional Groups

Isoxazoles

[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[1039833-39-0]
3-Cyclobutylisoxazol-5-amine
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate

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Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.048012819
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	98.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7