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

C17H13ClN2O2 — CID 2442909

IUPAC1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)15(21)10-11-16-19-20-17(22-16)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyVZCHEFTVWXILEF-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.21
Rot. Bonds5

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

1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 2442909) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID2442909
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)15(21)10-11-16-19-20-17(22-16)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyVZCHEFTVWXILEF-UHFFFAOYSA-N
XLogP4.21
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 2442909) is 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is O=C(CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is VZCHEFTVWXILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)15(21)10-11-16-19-20-17(22-16)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 312.76 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 2442909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).