1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H16N2O3 — CID 22576850

IUPAC1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2OC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C17H16N2O3/c1-12(20)19-17(14-8-10-15(21-2)11-9-14)22-16(18-19)13-6-4-3-5-7-13/h3-11,17H,1-2H3
InChIKeyNKZWLJVWLPEUEC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 22576850) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID22576850
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2OC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C17H16N2O3/c1-12(20)19-17(14-8-10-15(21-2)11-9-14)22-16(18-19)13-6-4-3-5-7-13/h3-11,17H,1-2H3
InChIKeyNKZWLJVWLPEUEC-UHFFFAOYSA-N
XLogP2.93
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one
CID 3035812
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazoline (1g)
CID 12671426
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
1-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3773109
1-[2-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 44627888
2-(Cyclopentylmethyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 9908438
2-Cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 10110067
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
1-[2-(2,4-Dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-YL]ethan-1-one
CID 22576851
2-benzyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363720
1-[5-(2,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 4139131

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 22576850) is 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(C2OC(c3ccccc3)=NN2C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is NKZWLJVWLPEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)19-17(14-8-10-15(21-2)11-9-14)22-16(18-19)13-6-4-3-5-7-13/h3-11,17H,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 296.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 22576850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).