5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole

C16H12N2O3 — CID 57465372

IUPAC5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-11-15(12-5-3-2-4-6-12)17-16(21-11)13-7-9-14(10-8-13)18(19)20/h2-10H,1H3
InChIKeyMXYAHQSRWCSUPJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP4.23
Rot. Bonds3

About 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole

5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole (PubChem CID 57465372) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
PubChem CID57465372
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-11-15(12-5-3-2-4-6-12)17-16(21-11)13-7-9-14(10-8-13)18(19)20/h2-10H,1H3
InChIKeyMXYAHQSRWCSUPJ-UHFFFAOYSA-N
XLogP4.23
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.23
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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Related Compounds

trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane
CID 42611516
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 10497900
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 16962846
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
2-methyl-6-(4-nitrophenyl)-5-phenyl-1-benzofuran
CID 174494373
4-(1-benzylpyridin-1-ium-4-yl)-5-methyl-2-phenyl-1,3-oxazole
CID 11596633

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole (CID 57465372) is 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole is Cc1oc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole?
The InChIKey is MXYAHQSRWCSUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-11-15(12-5-3-2-4-6-12)17-16(21-11)13-7-9-14(10-8-13)18(19)20/h2-10H,1H3.
What are the key properties of 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole?
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole has a molecular weight of 280.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole is sourced from PubChem (CID 57465372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).