3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide

C23H25ClN4O3 — CID 55332563

IUPAC3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)c1ccccc1
InChIInChI=1S/C23H25ClN4O3/c1-15(2)28(14-21-26-27-23(31-21)18-11-7-8-12-19(18)24)22(30)13-20(25-16(3)29)17-9-5-4-6-10-17/h4-12,15,20H,13-14H2,1-3H3,(H,25,29)
InChIKeyIIQONIHSGWPFLF-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.39
Rot. Bonds8

About 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide

3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 55332563) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID55332563
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)c1ccccc1
InChIInChI=1S/C23H25ClN4O3/c1-15(2)28(14-21-26-27-23(31-21)18-11-7-8-12-19(18)24)22(30)13-20(25-16(3)29)17-9-5-4-6-10-17/h4-12,15,20H,13-14H2,1-3H3,(H,25,29)
InChIKeyIIQONIHSGWPFLF-UHFFFAOYSA-N
XLogP4.39
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide 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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 16563213
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-phenoxyethoxy)-N-propan-2-ylacetamide
CID 55758153
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-chloro-3-pyridinyl)-N-propan-2-ylacetamide
CID 86933441
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 55332629
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 8557942
4-benzylsulfanyl-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 112844814
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 8890866
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 51240926
4-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 55156555
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(4-fluorophenoxy)-N-propan-2-ylbutanamide
CID 78843426
2-(4-chloro-2-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 112794827
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55758034

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide (CID 55332563) is 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide is CC(=O)NC(CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is IIQONIHSGWPFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-15(2)28(14-21-26-27-23(31-21)18-11-7-8-12-19(18)24)22(30)13-20(25-16(3)29)17-9-5-4-6-10-17/h4-12,15,20H,13-14H2,1-3H3,(H,25,29).
What are the key properties of 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide?
3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 440.93 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 55332563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).