Name: Name:3-[2-oxo-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]propanoic acid
Brand: Angene
SKU: AG019OTP
Rating: 90 (10 reviews)

3-[2-oxo-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]propanoic acid

CAS No.:

872107-94-3

Catalog Number:

AG019OTP

Molecular Formula:

C9H8N2O4S

Molecular Weight:

240.2358

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Product Description

Catalog Number:

AG019OTP

Chemical Name:

3-[2-oxo-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]propanoic acid

CAS Number:

872107-94-3

Molecular Formula:

C9H8N2O4S

Molecular Weight:

240.2358

MDL Number:

MFCD07686060

IUPAC Name:

3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoic acid

InChI:

InChI=1S/C9H8N2O4S/c12-7(13)3-4-11-9(14)15-8(10-11)6-2-1-5-16-6/h1-2,5H,3-4H2,(H,12,13)

InChI Key:

ZHQCFXRTKFZAJJ-UHFFFAOYSA-N

SMILES:

OC(=O)CCn1nc(oc1=O)c1cccs1

Properties

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.233g/mol

Monoisotopic Mass:

240.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101