Molecule ID: 45480538

IUPAC Name: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazol-2-one

Description: The molecule is an oxazoline derivative having an oxo group at the 2-position and an N-{[(5-nitro-2-furyl)methylene]amino} substituent. It has a role as an epitope. It is a member of furans, a C-nitro compound and an oxazoline.

SMILES: O=c1occn1/N=C/c1ccc([N+](=O)[O-])o1

SELFIES: [O][=C][O][C][=C][N][Ring1][Branch1][/N][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2]

InChI: InChI=1S/C8H5N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-5H/b9-5+

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.1