2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide

C13H18F3N3O2 — CID 125145226

IUPAC2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c(C)o1
InChIInChI=1S/C13H18F3N3O2/c1-8-11(17-9(2)21-8)12(20)18-10-4-3-5-19(6-10)7-13(14,15)16/h10H,3-7H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeySALQVBUJXQBANY-SNVBAGLBSA-N
MW305.30 g/mol
LogP2.05
Rot. Bonds3

About 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 125145226) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID125145226
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c(C)o1
InChIInChI=1S/C13H18F3N3O2/c1-8-11(17-9(2)21-8)12(20)18-10-4-3-5-19(6-10)7-13(14,15)16/h10H,3-7H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeySALQVBUJXQBANY-SNVBAGLBSA-N
XLogP2.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345445
4-ethyl-3-methylsulfonyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
CID 125143102
4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
CID 166194791
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 45196321
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
4-amino-N-(1-ethylpiperidin-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688370
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95282642
(3S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97240484
3-hydroxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 94889885

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide (CID 125145226) is 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is SALQVBUJXQBANY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8-11(17-9(2)21-8)12(20)18-10-4-3-5-19(6-10)7-13(14,15)16/h10H,3-7H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 125145226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).