5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide

C16H23N5O2 — CID 128989309

IUPAC5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C16H23N5O2/c1-11-14(18-10-23-11)16(22)17-9-12-5-4-8-20(2)15(12)13-6-7-19-21(13)3/h6-7,10,12,15H,4-5,8-9H2,1-3H3,(H,17,22)/t12-,15+/m0/s1
InChIKeyWQIAYXLQPZMQTE-SWLSCSKDSA-N
MW317.39 g/mol
LogP1.53
Rot. Bonds4

About 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 128989309) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID128989309
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C16H23N5O2/c1-11-14(18-10-23-11)16(22)17-9-12-5-4-8-20(2)15(12)13-6-7-19-21(13)3/h6-7,10,12,15H,4-5,8-9H2,1-3H3,(H,17,22)/t12-,15+/m0/s1
InChIKeyWQIAYXLQPZMQTE-SWLSCSKDSA-N
XLogP1.53
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide (CID 128989309) is 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C.
What is the InChIKey of 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WQIAYXLQPZMQTE-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-14(18-10-23-11)16(22)17-9-12-5-4-8-20(2)15(12)13-6-7-19-21(13)3/h6-7,10,12,15H,4-5,8-9H2,1-3H3,(H,17,22)/t12-,15+/m0/s1.
What are the key properties of 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128989309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).