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

C16H24N6O — CID 95336012

IUPAC5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(C)n(C[C@H]2CCCCN2Cc2noc(C3CC3)n2)n1
InChIInChI=1S/C16H24N6O/c1-11-17-12(2)22(19-11)9-14-5-3-4-8-21(14)10-15-18-16(23-20-15)13-6-7-13/h13-14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyACCHHYRQSDIBLF-CQSZACIVSA-N
MW316.41 g/mol
LogP2.21
Rot. Bonds5

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

5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95336012) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95336012
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(C)n(C[C@H]2CCCCN2Cc2noc(C3CC3)n2)n1
InChIInChI=1S/C16H24N6O/c1-11-17-12(2)22(19-11)9-14-5-3-4-8-21(14)10-15-18-16(23-20-15)13-6-7-13/h13-14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyACCHHYRQSDIBLF-CQSZACIVSA-N
XLogP2.21
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Cyclopropyl-5-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53574837
5-(2-Methylpropyl)-3-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53575265
5-Cyclopropyl-3-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53587575
5-Propyl-3-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53592719
3-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 53595566
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine
CID 53601727
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53601751
5-Tert-butyl-3-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53603313
5-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 53609365
1-[1-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53609863
3-Cyclopropyl-5-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53610042
3-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 53610046

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95336012) is 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(C)n(C[C@H]2CCCCN2Cc2noc(C3CC3)n2)n1.
What is the InChIKey of 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ACCHHYRQSDIBLF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-17-12(2)22(19-11)9-14-5-3-4-8-21(14)10-15-18-16(23-20-15)13-6-7-13/h13-14H,3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 316.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95336012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).