5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one

C15H12N2O3 — CID 12518892

IUPAC5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-13-9-7-11(8-10-13)14-16-17(15(18)20-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyMMNNXECQHQFZIF-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.50
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one

5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 12518892) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
PubChem CID12518892
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-13-9-7-11(8-10-13)14-16-17(15(18)20-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyMMNNXECQHQFZIF-UHFFFAOYSA-N
XLogP2.50
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 619798
4-(4-Methoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5395481
(4E)-4-(4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5386456
5-(4-Methoxyphenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 10308159
3,5-Diphenyl-1,3,4-oxadiazol-2(3H)-one
CID 12412581
4-(2,4-Dimethoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5386458
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 15040001
4-((4-Methoxyphenyl)methylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
CID 356068
4-Methoxybenzyl phenylcarbamate
CID 279808
5-(4-methoxyphenyl)-2-phenyl-4H-1,2,4-triazol-3-one
CID 135447906
(4E)-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 6537869
3-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 85831350

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one (CID 12518892) is 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one is COc1ccc(-c2nn(-c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is MMNNXECQHQFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-13-9-7-11(8-10-13)14-16-17(15(18)20-14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 268.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 12518892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).