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

C16H23N5O — CID 164632342

IUPAC3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@@H]2CCCCN2Cc2cn(C)nc2C2CC2)no1
InChIInChI=1S/C16H23N5O/c1-11-17-16(19-22-11)14-5-3-4-8-21(14)10-13-9-20(2)18-15(13)12-6-7-12/h9,12,14H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyGLSBGINDXAEANZ-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.72
Rot. Bonds4

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

3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 164632342) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID164632342
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@@H]2CCCCN2Cc2cn(C)nc2C2CC2)no1
InChIInChI=1S/C16H23N5O/c1-11-17-16(19-22-11)14-5-3-4-8-21(14)10-13-9-20(2)18-15(13)12-6-7-12/h9,12,14H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyGLSBGINDXAEANZ-AWEZNQCLSA-N
XLogP2.72
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole (CID 164632342) is 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc([C@@H]2CCCCN2Cc2cn(C)nc2C2CC2)no1.
What is the InChIKey of 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is GLSBGINDXAEANZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-17-16(19-22-11)14-5-3-4-8-21(14)10-13-9-20(2)18-15(13)12-6-7-12/h9,12,14H,3-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 164632342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).