2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole

C19H12N2O4 — CID 92912198

IUPAC2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
SMILESO=[N+]([O-])c1cccc(-c2ccc(/C=C\c3nc4ccccc4o3)o2)c1
InChIInChI=1S/C19H12N2O4/c22-21(23)14-5-3-4-13(12-14)17-10-8-15(24-17)9-11-19-20-16-6-1-2-7-18(16)25-19/h1-12H/b11-9-
InChIKeyRMVVNGFGIMBBSY-LUAWRHEFSA-N
MW332.32 g/mol
LogP5.17
Rot. Bonds4

About 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole

2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole (PubChem CID 92912198) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
PubChem CID92912198
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
SMILESO=[N+]([O-])c1cccc(-c2ccc(/C=C\c3nc4ccccc4o3)o2)c1
InChIInChI=1S/C19H12N2O4/c22-21(23)14-5-3-4-13(12-14)17-10-8-15(24-17)9-11-19-20-16-6-1-2-7-18(16)25-19/h1-12H/b11-9-
InChIKeyRMVVNGFGIMBBSY-LUAWRHEFSA-N
XLogP5.17
TPSA82.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
CID 6218469
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
CID 14738165
2-[2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 3276151
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 812283
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 7272693
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 71966888
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole
CID 8832196
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3501966
2-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771792
ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 6270175

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole (CID 92912198) is 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is O=[N+]([O-])c1cccc(-c2ccc(/C=C\c3nc4ccccc4o3)o2)c1.
What is the InChIKey of 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
The InChIKey is RMVVNGFGIMBBSY-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-21(23)14-5-3-4-13(12-14)17-10-8-15(24-17)9-11-19-20-16-6-1-2-7-18(16)25-19/h1-12H/b11-9-.
What are the key properties of 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole has a molecular weight of 332.32 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 92912198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).