4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one

C14H10N2O5 — CID 139218927

IUPAC4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one
SMILESO=C1OC(c2ccccc2O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O5/c17-12-4-2-1-3-11(12)13-15(14(18)21-13)9-5-7-10(8-6-9)16(19)20/h1-8,13,17H
InChIKeyPWBUOAGDKCJKPC-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.96
Rot. Bonds3

About 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one

4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one (PubChem CID 139218927) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one
PubChem CID139218927
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one
SMILESO=C1OC(c2ccccc2O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O5/c17-12-4-2-1-3-11(12)13-15(14(18)21-13)9-5-7-10(8-6-9)16(19)20/h1-8,13,17H
InChIKeyPWBUOAGDKCJKPC-UHFFFAOYSA-N
XLogP2.96
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyphenyl)-3a-methyl-5-(4-nitrophenyl)-2-phenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 4028177
2-(4-nitrophenyl)-3-(2-oxopropyl)-3H-isoindol-1-one
CID 53275939
2-(4-nitrophenyl)-1,3-benzodioxole
CID 53305093
3,6-bis(4-nitrophenyl)-4-thiophen-2-yl-1,3-oxazinan-2-one
CID 52937999
4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 86166226
(3S,4R)-3-chloro-1-(4-chlorophenyl)-4-[2-hydroxy-5-[(4-nitrophenyl)diazenyl]phenyl]azetidin-2-one
CID 135463542
(5R)-5-(hydroxymethyl)-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 58777713
6-(2-hydroxyphenyl)-2,8-bis(4-nitrophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CID 4573940
(5S)-4-[hydroxy-(4-nitrophenyl)methylidene]-1,5-diphenylpyrrolidine-2,3-dione
CID 7394923
4-[4-[hydroxy-(4-nitrophenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid
CID 4979093
3-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-methylphenyl)-3H-isoindol-1-one
CID 134845716
1-(4-nitrophenyl)-4-thiophen-2-ylazetidin-2-one
CID 15496312

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one?
The IUPAC name of 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one (CID 139218927) is 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one is O=C1OC(c2ccccc2O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one?
The InChIKey is PWBUOAGDKCJKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-12-4-2-1-3-11(12)13-15(14(18)21-13)9-5-7-10(8-6-9)16(19)20/h1-8,13,17H.
What are the key properties of 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one?
4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one has a molecular weight of 286.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one is sourced from PubChem (CID 139218927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).