N-Boc-oxazol-4-amine - CAS 1314931-66-2

Catalog:	BB007428
Product Name:	N-Boc-oxazol-4-amine
CAS:	1314931-66-2
Synonyms:	N-(4-oxazolyl)carbamic acid tert-butyl ester; tert-butyl N-(1,3-oxazol-4-yl)carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-(1,3-oxazol-4-yl)carbamate
Description:	N-Boc-oxazol-4-amine (CAS# 1314931-66-2) is a useful research chemical.
Molecular Weight:	184.19
Molecular Formula:	C8H12N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=COC=N1
InChI:	InChI=1S/C8H12N2O3/c1-8(2,3)13-7(11)10-6-4-12-5-9-6/h4-5H,1-3H3,(H,10,11)
InChI Key:	FHSAVSFTBFWLRS-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.03520

Publication Number	Title	Priority Date
AU-2018350989-A1	Amine-substituted heterocyclic compounds as EHMT2 inhibitors and derivatives thereof	20171017
CA-3079260-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and derivatives thereof	20171017
WO-2019079485-A1	AMINO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF	20171017
CN-111343988-A	Amine-substituted heterocyclic compounds and derivatives thereof as EHMT2 inhibitors	20171017
EP-3697419-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and derivatives thereof	20171017

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Related Functional Groups

Oxazole/Thiazole

[859473-05-5]
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[120740-06-9]
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[1018165-66-6]
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[3973-08-8]
4-Thiazolecarboxylic acid
[1431962-17-2]
Ethyl 2-(cyclopentylamino)-4-methylthiazole-5-carboxylate hydrochloride
[866769-74-6]
Ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)thiazole-5-carboxylate

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.08479225
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.08479225
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2