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

C15H19ClN4O2 — CID 119787997

IUPACN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H19ClN4O2/c1-10(9-17-2)15(21)18-7-6-13-19-14(20-22-13)11-4-3-5-12(16)8-11/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyUVUNOCFYUFKWGL-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.90
Rot. Bonds7

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

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119787997) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119787997
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H19ClN4O2/c1-10(9-17-2)15(21)18-7-6-13-19-14(20-22-13)11-4-3-5-12(16)8-11/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyUVUNOCFYUFKWGL-UHFFFAOYSA-N
XLogP1.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide 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

(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
3-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl-methylamino]propanoic acid
CID 122002325
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119326198
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 100757399
(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 83194547
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119326205
1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323762
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide (CID 119787997) is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is UVUNOCFYUFKWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-10(9-17-2)15(21)18-7-6-13-19-14(20-22-13)11-4-3-5-12(16)8-11/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide?
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 322.80 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119787997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).