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

C15H13N3O2 — CID 54578785

IUPAC1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-11(19)18-15(13-5-3-2-4-6-13)20-14(17-18)12-7-9-16-10-8-12/h2-10,15H,1H3
InChIKeyDVASYSZKJWOZAC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds2

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

1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 54578785) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID54578785
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-11(19)18-15(13-5-3-2-4-6-13)20-14(17-18)12-7-9-16-10-8-12/h2-10,15H,1H3
InChIKeyDVASYSZKJWOZAC-UHFFFAOYSA-N
XLogP2.32
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
[4-(3-acetyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-2-yl)phenyl] acetate
CID 71525299
1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 23661086
1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 957384
1-[(2R)-2,5-bis(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 752951
1-[(2R)-5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 957388
1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 10027488
1-[(2R)-2-naphthalen-2-yl-5-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712559
1-[(2R)-5-(3,6-dichloro-2-pyridinyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 27567031
1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 93065220
1-[5-(4-fluorophenyl)-2-pyridin-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576941
1-[(2R)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 6976236

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (CID 54578785) is 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccncc2)OC1c1ccccc1.
What is the InChIKey of 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is DVASYSZKJWOZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11(19)18-15(13-5-3-2-4-6-13)20-14(17-18)12-7-9-16-10-8-12/h2-10,15H,1H3.
What are the key properties of 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 54578785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).