3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol

C15H12N2O4 — CID 10446579

IUPAC3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol
SMILESO=[N+]([O-])c1ccccc1C1=NOC(O)(c2ccccc2)C1
InChIInChI=1S/C15H12N2O4/c18-15(11-6-2-1-3-7-11)10-13(16-21-15)12-8-4-5-9-14(12)17(19)20/h1-9,18H,10H2
InChIKeyQFNRKQMCTUMWHN-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol

3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol (PubChem CID 10446579) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol
PubChem CID10446579
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol
SMILESO=[N+]([O-])c1ccccc1C1=NOC(O)(c2ccccc2)C1
InChIInChI=1S/C15H12N2O4/c18-15(11-6-2-1-3-7-11)10-13(16-21-15)12-8-4-5-9-14(12)17(19)20/h1-9,18H,10H2
InChIKeyQFNRKQMCTUMWHN-UHFFFAOYSA-N
XLogP2.56
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
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

(5R)-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078758
(5R)-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 99993841
5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-3-nitrobenzene-1,2-diol
CID 142496951
(3S,3aR,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3'-(2-nitrophenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione
CID 56680558
N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 75519253
azetidin-1-yl-[3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 75484338
methyl 3-(2-fluorophenyl)-5-[(2-nitrophenyl)methyl]-4H-1,2-oxazole-5-carboxylate
CID 25171927
2-(2-nitrophenyl)-5-[(2-phenyl-1,3-dioxolan-2-yl)sulfanyl]-1,3,4-oxadiazole
CID 134065798
1-nitro-2-phenylbenzene;pyridine
CID 174774599
3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol
CID 163412438
(1R,4R,5R)-1,4,5-trihydroxy-3-(2-nitrophenyl)cyclohex-2-ene-1-carboxylic acid
CID 16728349
3-(2-nitrophenyl)-5-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 11722914

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol (CID 10446579) is 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol is O=[N+]([O-])c1ccccc1C1=NOC(O)(c2ccccc2)C1.
What is the InChIKey of 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol?
The InChIKey is QFNRKQMCTUMWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-15(11-6-2-1-3-7-11)10-13(16-21-15)12-8-4-5-9-14(12)17(19)20/h1-9,18H,10H2.
What are the key properties of 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol?
3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol has a molecular weight of 284.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 10446579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).