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

C23H18ClN3O3 — CID 1231037

IUPAC2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)o2)cc1
InChIInChI=1S/C23H18ClN3O3/c1-15-6-8-16(9-7-15)22-26-27-23(30-22)17-10-12-18(13-11-17)25-21(28)14-29-20-5-3-2-4-19(20)24/h2-13H,14H2,1H3,(H,25,28)
InChIKeyFXUMBDLMWWDBFF-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.38
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 1231037) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID1231037
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)o2)cc1
InChIInChI=1S/C23H18ClN3O3/c1-15-6-8-16(9-7-15)22-26-27-23(30-22)17-10-12-18(13-11-17)25-21(28)14-29-20-5-3-2-4-19(20)24/h2-13H,14H2,1H3,(H,25,28)
InChIKeyFXUMBDLMWWDBFF-UHFFFAOYSA-N
XLogP5.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867524
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
2-(2-chlorophenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795729

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 1231037) is 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is Cc1ccc(-c2nnc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)o2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is FXUMBDLMWWDBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-15-6-8-16(9-7-15)22-26-27-23(30-22)17-10-12-18(13-11-17)25-21(28)14-29-20-5-3-2-4-19(20)24/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 419.87 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 1231037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).