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

C17H14N2O2 — CID 2362065

IUPAC3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2/c20-15(12-11-13-7-3-1-4-8-13)17-19-18-16(21-17)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyHFWDKUBZRKZKPN-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds5

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

3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 2362065) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID2362065
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2/c20-15(12-11-13-7-3-1-4-8-13)17-19-18-16(21-17)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyHFWDKUBZRKZKPN-UHFFFAOYSA-N
XLogP3.55
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 651752
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 596995
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
2,5-Bis((1,1'-biphenyl)-4-yl)-1,3,4-oxadiazole
CID 96840
2-(3-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259998
Methyl phenyl-1,3,4-oxadiazole
CID 138101
2,5-Bis(4-fluorophenyl)-1,3,4-oxadiazole
CID 259840

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 2362065) is 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is O=C(CCc1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is HFWDKUBZRKZKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-15(12-11-13-7-3-1-4-8-13)17-19-18-16(21-17)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 278.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 2362065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).