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

C16H15N3O2 — CID 5270582

IUPAC1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1(C)c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-12(20)19-16(2,14-6-4-3-5-7-14)21-15(18-19)13-8-10-17-11-9-13/h3-11H,1-2H3
InChIKeyZCAFARGFIFZHMS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.49
Rot. Bonds2

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

1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 5270582) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID5270582
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1(C)c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-12(20)19-16(2,14-6-4-3-5-7-14)21-15(18-19)13-8-10-17-11-9-13/h3-11H,1-2H3
InChIKeyZCAFARGFIFZHMS-UHFFFAOYSA-N
XLogP2.49
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone (CID 5270582) is 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccncc2)OC1(C)c1ccccc1.
What is the InChIKey of 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is ZCAFARGFIFZHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12(20)19-16(2,14-6-4-3-5-7-14)21-15(18-19)13-8-10-17-11-9-13/h3-11H,1-2H3.
What are the key properties of 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 281.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 5270582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).