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1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C16H18N6O — CID 166216352

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nc(-c2ccc(-c3nc(C4(N)CCCC4)no3)cc2)n[nH]1
InChIInChI=1S/C16H18N6O/c1-10-18-13(21-20-10)11-4-6-12(7-5-11)14-19-15(22-23-14)16(17)8-2-3-9-16/h4-7H,2-3,8-9,17H2,1H3,(H,18,20,21)
InChIKeyXIEAPEIPGRGWFI-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.56
Rot. Bonds3

About 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 166216352) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID166216352
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nc(-c2ccc(-c3nc(C4(N)CCCC4)no3)cc2)n[nH]1
InChIInChI=1S/C16H18N6O/c1-10-18-13(21-20-10)11-4-6-12(7-5-11)14-19-15(22-23-14)16(17)8-2-3-9-16/h4-7H,2-3,8-9,17H2,1H3,(H,18,20,21)
InChIKeyXIEAPEIPGRGWFI-UHFFFAOYSA-N
XLogP2.56
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 166216352) is 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1nc(-c2ccc(-c3nc(C4(N)CCCC4)no3)cc2)n[nH]1.
What is the InChIKey of 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is XIEAPEIPGRGWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10-18-13(21-20-10)11-4-6-12(7-5-11)14-19-15(22-23-14)16(17)8-2-3-9-16/h4-7H,2-3,8-9,17H2,1H3,(H,18,20,21).
What are the key properties of 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 310.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 166216352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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