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

C15H10N2O4 — CID 45123254

IUPAC4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4/c18-15-13(11-8-4-5-9-12(11)17(19)20)16-14(21-15)10-6-2-1-3-7-10/h1-9,13H
InChIKeyLXIDIJNRMJEMKH-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.64
Rot. Bonds3

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

4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 45123254) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID45123254
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4/c18-15-13(11-8-4-5-9-12(11)17(19)20)16-14(21-15)10-6-2-1-3-7-10/h1-9,13H
InChIKeyLXIDIJNRMJEMKH-UHFFFAOYSA-N
XLogP2.64
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.64
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

4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
2-(2-nitrophenyl)-1,3-dioxane-4,6-dione
CID 166773370
(4Z)-4-[(2-nitrophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665257
(4S)-4-(2-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydropyran-5-carbonitrile
CID 122389105
4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 2756650
5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride
CID 162329662
[(2S,3S)-3-(2-nitrophenyl)oxiran-2-yl]-phenylmethanone
CID 24944301
(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
CID 7068225
3-(2-nitrophenyl)morpholine
CID 69296490
(4R)-4-(2-nitrophenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1122790

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one (CID 45123254) is 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is LXIDIJNRMJEMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-15-13(11-8-4-5-9-12(11)17(19)20)16-14(21-15)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one?
4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 282.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 45123254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).