2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one

C22H16N2O4 — CID 71429390

IUPAC2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one
SMILESCc1cc([N+](=O)[O-])ccc1-n1oc(=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16N2O4/c1-15-14-18(24(26)27)12-13-19(15)23-21(17-10-6-3-7-11-17)20(22(25)28-23)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyWUZHMCRHAFWYQO-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.98
Rot. Bonds4

About 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one

2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one (PubChem CID 71429390) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one
PubChem CID71429390
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one
SMILESCc1cc([N+](=O)[O-])ccc1-n1oc(=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16N2O4/c1-15-14-18(24(26)27)12-13-19(15)23-21(17-10-6-3-7-11-17)20(22(25)28-23)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyWUZHMCRHAFWYQO-UHFFFAOYSA-N
XLogP4.98
TPSA78.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.98
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-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-2-yl)-5-nitrobenzaldehyde
CID 11427713
3-(2-methyl-4-nitrophenyl)-2-phenylquinazolin-4-one
CID 1107668
(1R,2R,6S,7R)-1,7-dimethyl-4-(2-methyl-4-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 98114252
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
5-(2-methyl-4-nitrophenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 3560557
2-methyl-4-[2-(6-nitro-1,3-benzothiazol-3-ium-2-yl)ethenyl]-3-phenyl-1,2-oxazol-5-one
CID 100978989
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-(2-methyl-4-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951819
3-methyl-1-(2-methyl-4-nitrophenyl)pyrrole-2,5-dione
CID 54940825
(3aS,6aR)-5-(2-methyl-4-nitrophenyl)-3-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98456729
1-(2,4-dinitrophenyl)-5-phenyl-3-(4-phenylphenyl)pyrazole
CID 23583323

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one?
The IUPAC name of 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one (CID 71429390) is 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one.
What is the SMILES notation for 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one?
The canonical SMILES for 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one is Cc1cc([N+](=O)[O-])ccc1-n1oc(=O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one?
The InChIKey is WUZHMCRHAFWYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-15-14-18(24(26)27)12-13-19(15)23-21(17-10-6-3-7-11-17)20(22(25)28-23)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one?
2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one has a molecular weight of 372.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one is sourced from PubChem (CID 71429390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).