1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C15H16ClN7O — CID 120852033

IUPAC1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(Cn3nnc(-c4ccc(Cl)cc4)n3)n2)CCCC1
InChIInChI=1S/C15H16ClN7O/c16-11-5-3-10(4-6-11)13-19-22-23(20-13)9-12-18-14(21-24-12)15(17)7-1-2-8-15/h3-6H,1-2,7-9,17H2
InChIKeyZZPIJORFPAAHAH-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.15
Rot. Bonds4

About 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852033) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852033
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(Cn3nnc(-c4ccc(Cl)cc4)n3)n2)CCCC1
InChIInChI=1S/C15H16ClN7O/c16-11-5-3-10(4-6-11)13-19-22-23(20-13)9-12-18-14(21-24-12)15(17)7-1-2-8-15/h3-6H,1-2,7-9,17H2
InChIKeyZZPIJORFPAAHAH-UHFFFAOYSA-N
XLogP2.15
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine 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

1-[5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862029
1-[5-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863346
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-[5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856616
3-(4-chlorophenyl)-5-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17497344
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671445
(1-aminocyclopentyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839925
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291995

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852033) is 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(Cn3nnc(-c4ccc(Cl)cc4)n3)n2)CCCC1.
What is the InChIKey of 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is ZZPIJORFPAAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O/c16-11-5-3-10(4-6-11)13-19-22-23(20-13)9-12-18-14(21-24-12)15(17)7-1-2-8-15/h3-6H,1-2,7-9,17H2.
What are the key properties of 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 345.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).