5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C18H22N6O — CID 95352806

IUPAC5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1cnn(C[C@@H]2CCCCN2Cc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C18H22N6O/c1-14-9-20-24(11-14)12-16-6-2-3-8-23(16)13-17-21-18(22-25-17)15-5-4-7-19-10-15/h4-5,7,9-11,16H,2-3,6,8,12-13H2,1H3/t16-/m0/s1
InChIKeyZSFOAQZBXSSNJA-INIZCTEOSA-N
MW338.42 g/mol
LogP2.69
Rot. Bonds5

About 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 95352806) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID95352806
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1cnn(C[C@@H]2CCCCN2Cc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C18H22N6O/c1-14-9-20-24(11-14)12-16-6-2-3-8-23(16)13-17-21-18(22-25-17)15-5-4-7-19-10-15/h4-5,7,9-11,16H,2-3,6,8,12-13H2,1H3/t16-/m0/s1
InChIKeyZSFOAQZBXSSNJA-INIZCTEOSA-N
XLogP2.69
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780380
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95570862
5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56825307
3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95333246
3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
3-(furan-3-yl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802734
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95315795
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560
3-(2-methylphenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95307782
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 95350860

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 95352806) is 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1cnn(C[C@@H]2CCCCN2Cc2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ZSFOAQZBXSSNJA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N6O/c1-14-9-20-24(11-14)12-16-6-2-3-8-23(16)13-17-21-18(22-25-17)15-5-4-7-19-10-15/h4-5,7,9-11,16H,2-3,6,8,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 338.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95352806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).