1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C16H17ClFN5O — CID 120855013

IUPAC1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cncn3-c3ccc(F)cc3)n2)CCCC1
InChIInChI=1S/C16H16FN5O.ClH/c17-11-3-5-12(6-4-11)22-10-19-9-13(22)14-20-15(21-23-14)16(18)7-1-2-8-16;/h3-6,9-10H,1-2,7-8,18H2;1H
InChIKeyKJFHFBQLUMUWBZ-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.21
Rot. Bonds3

About 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120855013) has the molecular formula C16H17ClFN5O and a molecular weight of 349.80 g/mol. Its IUPAC name is 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120855013
Molecular FormulaC16H17ClFN5O
Molecular Weight349.80 g/mol
Exact Mass349.11
IUPAC Name1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cncn3-c3ccc(F)cc3)n2)CCCC1
InChIInChI=1S/C16H16FN5O.ClH/c17-11-3-5-12(6-4-11)22-10-19-9-13(22)14-20-15(21-23-14)16(18)7-1-2-8-16;/h3-6,9-10H,1-2,7-8,18H2;1H
InChIKeyKJFHFBQLUMUWBZ-UHFFFAOYSA-N
XLogP3.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120855013) is 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3cncn3-c3ccc(F)cc3)n2)CCCC1.
What is the InChIKey of 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is KJFHFBQLUMUWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O.ClH/c17-11-3-5-12(6-4-11)22-10-19-9-13(22)14-20-15(21-23-14)16(18)7-1-2-8-16;/h3-6,9-10H,1-2,7-8,18H2;1H.
What are the key properties of 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 349.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120855013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).