(3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone

C17H13ClN2O3 — CID 171351583

IUPAC(3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone
SMILESCc1ccc(OCc2nnco2)c(C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H13ClN2O3/c1-11-5-6-15(22-9-16-20-19-10-23-16)14(7-11)17(21)12-3-2-4-13(18)8-12/h2-8,10H,9H2,1H3
InChIKeyCFNJIYVOKXICAQ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.84
Rot. Bonds5

About (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone

(3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone (PubChem CID 171351583) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone
PubChem CID171351583
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone
SMILESCc1ccc(OCc2nnco2)c(C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H13ClN2O3/c1-11-5-6-15(22-9-16-20-19-10-23-16)14(7-11)17(21)12-3-2-4-13(18)8-12/h2-8,10H,9H2,1H3
InChIKeyCFNJIYVOKXICAQ-UHFFFAOYSA-N
XLogP3.84
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone?
The IUPAC name of (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone (CID 171351583) is (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone is Cc1ccc(OCc2nnco2)c(C(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone?
The InChIKey is CFNJIYVOKXICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-11-5-6-15(22-9-16-20-19-10-23-16)14(7-11)17(21)12-3-2-4-13(18)8-12/h2-8,10H,9H2,1H3.
What are the key properties of (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone?
(3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone has a molecular weight of 328.76 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[5-methyl-2-(1,3,4-oxadiazol-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 171351583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).