2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

C17H13ClFN3O3 — CID 16917535

IUPAC2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C17H13ClFN3O3/c18-12-3-7-14(8-4-12)24-10-15(23)20-17-22-21-16(25-17)9-11-1-5-13(19)6-2-11/h1-8H,9-10H2,(H,20,22,23)
InChIKeyXRPICRWEKAZGGU-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.47
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 16917535) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID16917535
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Name2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C17H13ClFN3O3/c18-12-3-7-14(8-4-12)24-10-15(23)20-17-22-21-16(25-17)9-11-1-5-13(19)6-2-11/h1-8H,9-10H2,(H,20,22,23)
InChIKeyXRPICRWEKAZGGU-UHFFFAOYSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 16917535) is 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is XRPICRWEKAZGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c18-12-3-7-14(8-4-12)24-10-15(23)20-17-22-21-16(25-17)9-11-1-5-13(19)6-2-11/h1-8H,9-10H2,(H,20,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 361.76 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 16917535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).