N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide

C16H21ClN4O2 — CID 50953992

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCc1noc(C(C)N(C)CC(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN4O2/c1-11(16-19-12(2)20-23-16)21(3)10-15(22)18-9-8-13-4-6-14(17)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,18,22)
InChIKeyJMHVYHYDLGTFGU-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.38
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (PubChem CID 50953992) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
PubChem CID50953992
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCc1noc(C(C)N(C)CC(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN4O2/c1-11(16-19-12(2)20-23-16)21(3)10-15(22)18-9-8-13-4-6-14(17)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,18,22)
InChIKeyJMHVYHYDLGTFGU-UHFFFAOYSA-N
XLogP2.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]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 N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (CID 50953992) is N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is Cc1noc(C(C)N(C)CC(=O)NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The InChIKey is JMHVYHYDLGTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-11(16-19-12(2)20-23-16)21(3)10-15(22)18-9-8-13-4-6-14(17)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide has a molecular weight of 336.82 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is sourced from PubChem (CID 50953992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).