1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C14H15ClIN5O — CID 120857352

IUPAC1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3n[nH]c4ccc(I)cc34)n2)CCCC1
InChIInChI=1S/C14H14IN5O.ClH/c15-8-3-4-10-9(7-8)11(19-18-10)12-17-13(20-21-12)14(16)5-1-2-6-14;/h3-4,7H,1-2,5-6,16H2,(H,18,19);1H
InChIKeyMWVCEJWXAQMOSQ-UHFFFAOYSA-N
MW431.67 g/mol
LogP3.37
Rot. Bonds2

About 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120857352) has the molecular formula C14H15ClIN5O and a molecular weight of 431.67 g/mol. Its IUPAC name is 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120857352
Molecular FormulaC14H15ClIN5O
Molecular Weight431.67 g/mol
Exact Mass431.00
IUPAC Name1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3n[nH]c4ccc(I)cc34)n2)CCCC1
InChIInChI=1S/C14H14IN5O.ClH/c15-8-3-4-10-9(7-8)11(19-18-10)12-17-13(20-21-12)14(16)5-1-2-6-14;/h3-4,7H,1-2,5-6,16H2,(H,18,19);1H
InChIKeyMWVCEJWXAQMOSQ-UHFFFAOYSA-N
XLogP3.37
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.67
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 137031633
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860494
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 137096064
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855437
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 166216352
1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859003
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120857352) is 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3n[nH]c4ccc(I)cc34)n2)CCCC1.
What is the InChIKey of 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is MWVCEJWXAQMOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN5O.ClH/c15-8-3-4-10-9(7-8)11(19-18-10)12-17-13(20-21-12)14(16)5-1-2-6-14;/h3-4,7H,1-2,5-6,16H2,(H,18,19);1H.
What are the key properties of 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 431.67 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-iodo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120857352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).