5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C14H22N6O — CID 95294929

IUPAC5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1nc(CN2CCCC[C@@H]2Cn2cncn2)no1
InChIInChI=1S/C14H22N6O/c1-2-5-14-17-13(18-21-14)9-19-7-4-3-6-12(19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3/t12-/m1/s1
InChIKeyMOEIGINQMBQTGT-GFCCVEGCSA-N
MW290.37 g/mol
LogP1.67
Rot. Bonds6

About 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95294929) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95294929
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1nc(CN2CCCC[C@@H]2Cn2cncn2)no1
InChIInChI=1S/C14H22N6O/c1-2-5-14-17-13(18-21-14)9-19-7-4-3-6-12(19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3/t12-/m1/s1
InChIKeyMOEIGINQMBQTGT-GFCCVEGCSA-N
XLogP1.67
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95294929) is 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is CCCc1nc(CN2CCCC[C@@H]2Cn2cncn2)no1.
What is the InChIKey of 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MOEIGINQMBQTGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-5-14-17-13(18-21-14)9-19-7-4-3-6-12(19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3/t12-/m1/s1.
What are the key properties of 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95294929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).