2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C18H26F3N3O2 — CID 24872357

IUPAC2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)c(C(F)(F)F)o1
InChIInChI=1S/C18H26F3N3O2/c1-12-22-15(16(26-12)18(19,20)21)17(25)23-14-8-4-3-7-13(14)11-24-9-5-2-6-10-24/h13-14H,2-11H2,1H3,(H,23,25)/t13-,14+/m0/s1
InChIKeyZHQIUWUZVILWHY-UONOGXRCSA-N
MW373.42 g/mol
LogP3.78
Rot. Bonds4

About 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 24872357) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID24872357
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)c(C(F)(F)F)o1
InChIInChI=1S/C18H26F3N3O2/c1-12-22-15(16(26-12)18(19,20)21)17(25)23-14-8-4-3-7-13(14)11-24-9-5-2-6-10-24/h13-14H,2-11H2,1H3,(H,23,25)/t13-,14+/m0/s1
InChIKeyZHQIUWUZVILWHY-UONOGXRCSA-N
XLogP3.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 24872357) is 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZHQIUWUZVILWHY-UONOGXRCSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-12-22-15(16(26-12)18(19,20)21)17(25)23-14-8-4-3-7-13(14)11-24-9-5-2-6-10-24/h13-14H,2-11H2,1H3,(H,23,25)/t13-,14+/m0/s1.
What are the key properties of 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24872357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).