Methyl Benzoxazole-2-carboxylate - CAS 27383-86-4

Catalog:	BB019555
Product Name:	Methyl Benzoxazole-2-carboxylate
CAS:	27383-86-4
Synonyms:	1,3-benzoxazole-2-carboxylic acid methyl ester; methyl 1,3-benzoxazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1,3-benzoxazole-2-carboxylate
Description:	Methyl Benzoxazole-2-carboxylate (CAS# 27383-86-4) is used as a reactant in the preparation of benzoxazole-based oxadiazoles as antimicrobial agents.
Molecular Weight:	177.16
Molecular Formula:	C9H7NO3
Canonical SMILES:	COC(=O)C1=NC2=CC=CC=C2O1
InChI:	InChI=1S/C9H7NO3/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChI Key:	YDKNBNOOCSNPNS-UHFFFAOYSA-N
Boiling Point:	272.3 °C at 760 mmHg
Density:	1.288 g/cm³
LogP:	1.61440

Publication Number	Title	Priority Date
WO-2020151566-A1	Compound for inhibiting pge2/ep4 signaling transduction inhibiting, preparation method therefor, and medical uses thereof	20190122
TW-202041498-A	Compounds for inhibiting pge2/ep4 signaling, preparation method thereof and use in medicine	20190122
EP-3889134-A1	Compound for inhibiting pge2/ep4 signaling transduction inhibiting, preparation method therefor, and medical uses thereof	20190122
KR-20210117280-A	Compounds for inhibiting PGE2/EP4 signal transduction, methods for their preparation, and medicinal uses thereof	20190122
WO-2019136093-A1	Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof	20180102

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
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[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.042593085
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1