2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole

C19H12N2O3 — CID 8832196

IUPAC2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc2oc(/C=C/c3cccc4ccccc34)nc2c1
InChIInChI=1S/C19H12N2O3/c22-21(23)15-9-10-18-17(12-15)20-19(24-18)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H/b11-8+
InChIKeyGEFZBEAWYREAIG-DHZHZOJOSA-N
MW316.32 g/mol
LogP5.06
Rot. Bonds3

About 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole

2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole (PubChem CID 8832196) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole
PubChem CID8832196
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc2oc(/C=C/c3cccc4ccccc34)nc2c1
InChIInChI=1S/C19H12N2O3/c22-21(23)15-9-10-18-17(12-15)20-19(24-18)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H/b11-8+
InChIKeyGEFZBEAWYREAIG-DHZHZOJOSA-N
XLogP5.06
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.32
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832213
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832260
2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832228
2-[(E)-2-(2-nitrophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 16554443
N,N-dimethyl-2-(5-nitro-1,3-benzoxazol-2-yl)ethenamine
CID 86008495
2,6-dimethyl-4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]phenol
CID 135689520
2-(2-methylprop-1-enyl)-5-nitro-1,3-benzoxazole
CID 177389035
2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832291
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
methyl 4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]benzoate
CID 8832258
2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
CID 92912198
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole (CID 8832196) is 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole is O=[N+]([O-])c1ccc2oc(/C=C/c3cccc4ccccc34)nc2c1.
What is the InChIKey of 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole?
The InChIKey is GEFZBEAWYREAIG-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-21(23)15-9-10-18-17(12-15)20-19(24-18)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H/b11-8+.
What are the key properties of 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole?
2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole has a molecular weight of 316.32 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole is sourced from PubChem (CID 8832196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).