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

C14H17ClN4O2 — CID 120562932

IUPAC4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H17ClN4O2/c1-9(16)5-6-12(20)17-8-13-18-14(19-21-13)10-3-2-4-11(15)7-10/h2-4,7,9H,5-6,8,16H2,1H3,(H,17,20)
InChIKeyYSRZIMQVVHXBNG-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.13
Rot. Bonds6

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

4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide (PubChem CID 120562932) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
PubChem CID120562932
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H17ClN4O2/c1-9(16)5-6-12(20)17-8-13-18-14(19-21-13)10-3-2-4-11(15)7-10/h2-4,7,9H,5-6,8,16H2,1H3,(H,17,20)
InChIKeyYSRZIMQVVHXBNG-UHFFFAOYSA-N
XLogP2.13
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide 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-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,6-dichlorophenyl)propanamide
CID 100604670
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110293601
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110310706
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 94975471
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)butanamide
CID 110313940
(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 83194547
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 91692460
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 100757399
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide (CID 120562932) is 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide is CC(N)CCC(=O)NCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
The InChIKey is YSRZIMQVVHXBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(16)5-6-12(20)17-8-13-18-14(19-21-13)10-3-2-4-11(15)7-10/h2-4,7,9H,5-6,8,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide?
4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide has a molecular weight of 308.77 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide is sourced from PubChem (CID 120562932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).