N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide

C16H12ClN3O3 — CID 3483535

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H12ClN3O3/c17-12-8-6-11(7-9-12)15-19-20-16(23-15)18-14(21)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21)
InChIKeyKMNWXXYLSFIISY-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.41
Rot. Bonds5

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 3483535) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
PubChem CID3483535
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H12ClN3O3/c17-12-8-6-11(7-9-12)15-19-20-16(23-15)18-14(21)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21)
InChIKeyKMNWXXYLSFIISY-UHFFFAOYSA-N
XLogP3.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5223276
2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4443991
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
CID 2127774
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 3373841
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 3623511
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 5139424
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7793869
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate
CID 8606577
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate
CID 8792633
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 25162587
[2-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 25163858
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 1247740

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (CID 3483535) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is KMNWXXYLSFIISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-12-8-6-11(7-9-12)15-19-20-16(23-15)18-14(21)10-22-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20,21).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 329.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 3483535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).