3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide

C16H17F3N2O3 — CID 94621379

IUPAC3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3/c1-9(20-15(22)14-10(2)21-24-11(14)3)8-23-13-7-5-4-6-12(13)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,20,22)/t9-/m1/s1
InChIKeySUPIENACFOZHEH-SECBINFHSA-N
MW342.32 g/mol
LogP3.51
Rot. Bonds5

About 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 94621379) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID94621379
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3/c1-9(20-15(22)14-10(2)21-24-11(14)3)8-23-13-7-5-4-6-12(13)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,20,22)/t9-/m1/s1
InChIKeySUPIENACFOZHEH-SECBINFHSA-N
XLogP3.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
CID 94657175
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 86832975
1-propan-2-yl-5-(trifluoromethyl)-N-[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 52833776
3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide
CID 56581375
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]butanamide
CID 95285859
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 52740320
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide (CID 94621379) is 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is SUPIENACFOZHEH-SECBINFHSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-9(20-15(22)14-10(2)21-24-11(14)3)8-23-13-7-5-4-6-12(13)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,20,22)/t9-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 94621379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).