N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide

C18H23ClN4O2 — CID 120856740

IUPACN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H23ClN4O2/c1-11(2)14(21-15(24)12-5-7-13(19)8-6-12)16-22-17(23-25-16)18(20)9-3-4-10-18/h5-8,11,14H,3-4,9-10,20H2,1-2H3,(H,21,24)
InChIKeyRKTLEYTZBGGJGA-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.58
Rot. Bonds5

About N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide

N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide (PubChem CID 120856740) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide
PubChem CID120856740
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H23ClN4O2/c1-11(2)14(21-15(24)12-5-7-13(19)8-6-12)16-22-17(23-25-16)18(20)9-3-4-10-18/h5-8,11,14H,3-4,9-10,20H2,1-2H3,(H,21,24)
InChIKeyRKTLEYTZBGGJGA-UHFFFAOYSA-N
XLogP3.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide 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-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 120861770
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
CID 120859450
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide
CID 120850394
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 120860974
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxybenzamide;hydrochloride
CID 120863327
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 120859791
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
CID 120853109

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide?
The IUPAC name of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide (CID 120856740) is N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1)c1nc(C2(N)CCCC2)no1.
What is the InChIKey of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide?
The InChIKey is RKTLEYTZBGGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11(2)14(21-15(24)12-5-7-13(19)8-6-12)16-22-17(23-25-16)18(20)9-3-4-10-18/h5-8,11,14H,3-4,9-10,20H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide?
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide has a molecular weight of 362.86 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide is sourced from PubChem (CID 120856740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).