N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C16H17F3N2O3 — CID 102602799

IUPACN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H17F3N2O3/c1-9(2)14-7-12(21-24-14)15(23)20-8-13(22)10-4-3-5-11(6-10)16(17,18)19/h3-7,9,13,22H,8H2,1-2H3,(H,20,23)
InChIKeyJSWLPMZLGSFTOT-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.28
Rot. Bonds5

About N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 102602799) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID102602799
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H17F3N2O3/c1-9(2)14-7-12(21-24-14)15(23)20-8-13(22)10-4-3-5-11(6-10)16(17,18)19/h3-7,9,13,22H,8H2,1-2H3,(H,20,23)
InChIKeyJSWLPMZLGSFTOT-UHFFFAOYSA-N
XLogP3.28
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97059016
5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111108710
3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
CID 110014991
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(1-methoxypropan-2-yl)urea
CID 111108807
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 102602799) is N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JSWLPMZLGSFTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-9(2)14-7-12(21-24-14)15(23)20-8-13(22)10-4-3-5-11(6-10)16(17,18)19/h3-7,9,13,22H,8H2,1-2H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 102602799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).