5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole

C18H14N2O3 — CID 16774627

IUPAC5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole
SMILESCc1onc(/C=C/c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H14N2O3/c1-13-18(20(21)22)17(19-23-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-12H,1H3/b12-9+
InChIKeyNYJQJFUCUVNHPZ-FMIVXFBMSA-N
MW306.32 g/mol
LogP4.73
Rot. Bonds4

About 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole

5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole (PubChem CID 16774627) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole
PubChem CID16774627
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole
SMILESCc1onc(/C=C/c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H14N2O3/c1-13-18(20(21)22)17(19-23-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-12H,1H3/b12-9+
InChIKeyNYJQJFUCUVNHPZ-FMIVXFBMSA-N
XLogP4.73
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.73
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole?
The IUPAC name of 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole (CID 16774627) is 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole is Cc1onc(/C=C/c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole?
The InChIKey is NYJQJFUCUVNHPZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-13-18(20(21)22)17(19-23-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-12H,1H3/b12-9+.
What are the key properties of 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole?
5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole has a molecular weight of 306.32 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-3-[(E)-2-(4-phenylphenyl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 16774627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).