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

C15H21N5O2 — CID 128989664

IUPACN-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCN1CCC[C@@H](CNC(=O)c2ccon2)[C@@H]1c1cncn1C
InChIInChI=1S/C15H21N5O2/c1-19-6-3-4-11(14(19)13-9-16-10-20(13)2)8-17-15(21)12-5-7-22-18-12/h5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,17,21)/t11-,14+/m0/s1
InChIKeyBVEMMGKYQPIGHI-SMDDNHRTSA-N
MW303.37 g/mol
LogP1.22
Rot. Bonds4

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

N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 128989664) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID128989664
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCN1CCC[C@@H](CNC(=O)c2ccon2)[C@@H]1c1cncn1C
InChIInChI=1S/C15H21N5O2/c1-19-6-3-4-11(14(19)13-9-16-10-20(13)2)8-17-15(21)12-5-7-22-18-12/h5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,17,21)/t11-,14+/m0/s1
InChIKeyBVEMMGKYQPIGHI-SMDDNHRTSA-N
XLogP1.22
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 128989664) is N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is CN1CCC[C@@H](CNC(=O)c2ccon2)[C@@H]1c1cncn1C.
What is the InChIKey of N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BVEMMGKYQPIGHI-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-6-3-4-11(14(19)13-9-16-10-20(13)2)8-17-15(21)12-5-7-22-18-12/h5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,17,21)/t11-,14+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 128989664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).