2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone

C16H12N2O2 — CID 2461697

IUPAC2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H12N2O2/c19-14(11-12-7-3-1-4-8-12)16-18-17-15(20-16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyMZXWMROYJCJJIC-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.16
Rot. Bonds4

About 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone

2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 2461697) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
PubChem CID2461697
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H12N2O2/c19-14(11-12-7-3-1-4-8-12)16-18-17-15(20-16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyMZXWMROYJCJJIC-UHFFFAOYSA-N
XLogP3.16
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
CID 148946555
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 58316530
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
ethyl (Z)-3-amino-3-benzylsulfanyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enoate
CID 6299718
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 132551637

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?
The IUPAC name of 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone (CID 2461697) is 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone is O=C(Cc1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?
The InChIKey is MZXWMROYJCJJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-14(11-12-7-3-1-4-8-12)16-18-17-15(20-16)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone?
2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 264.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 2461697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).