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

C13H14N2O2 — CID 148946555

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
SMILESCCCCC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H14N2O2/c1-2-3-9-11(16)13-15-14-12(17-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyPPBBUTPYFAYMAB-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.11
Rot. Bonds5

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

1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one (PubChem CID 148946555) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
PubChem CID148946555
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
SMILESCCCCC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H14N2O2/c1-2-3-9-11(16)13-15-14-12(17-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyPPBBUTPYFAYMAB-UHFFFAOYSA-N
XLogP3.11
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
CID 2461697
N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide
CID 23586812
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
4-(4-phenylphenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 58316530
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
4-(pentanoylamino)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016444
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392696
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
ethane;1-phenylpentan-1-one
CID 143728184

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one (CID 148946555) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one is CCCCC(=O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one?
The InChIKey is PPBBUTPYFAYMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-3-9-11(16)13-15-14-12(17-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one has a molecular weight of 230.27 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one is sourced from PubChem (CID 148946555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).