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

C15H24N6O — CID 95313170

IUPAC3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1
InChIInChI=1S/C15H24N6O/c1-2-3-6-14-18-15(22-19-14)10-20-7-4-5-13(8-20)9-21-12-16-11-17-21/h11-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyKJWMGLCDQUDXQI-CYBMUJFWSA-N
MW304.40 g/mol
LogP1.92
Rot. Bonds7

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

3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95313170) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95313170
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1
InChIInChI=1S/C15H24N6O/c1-2-3-6-14-18-15(22-19-14)10-20-7-4-5-13(8-20)9-21-12-16-11-17-21/h11-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyKJWMGLCDQUDXQI-CYBMUJFWSA-N
XLogP1.92
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-propan-2-yl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95311298
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
3-(4-methylphenyl)-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95342707
2-butyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95331583
3,5-dimethyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95311320
3-propyl-5-[(1R)-1-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100841318
(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309829
3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95293109
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267588
2-methyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95325530
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95313170) is 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is CCCCc1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1.
What is the InChIKey of 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KJWMGLCDQUDXQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-3-6-14-18-15(22-19-14)10-20-7-4-5-13(8-20)9-21-12-16-11-17-21/h11-13H,2-10H2,1H3/t13-/m1/s1.
What are the key properties of 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 304.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95313170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).