(4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide

C11H11F3N2O3 — CID 1483774

IUPAC(4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H](O)CO1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-2-1-3-8(4-7)15-10(18)16-5-9(17)6-19-16/h1-4,9,17H,5-6H2,(H,15,18)/t9-/m0/s1
InChIKeyFKMBWHXFYQIPDA-VIFPVBQESA-N
MW276.21 g/mol
LogP1.85
Rot. Bonds1

About (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide

(4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide (PubChem CID 1483774) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide.

Molecular Properties

Compound Name(4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide
PubChem CID1483774
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name(4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H](O)CO1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-2-1-3-8(4-7)15-10(18)16-5-9(17)6-19-16/h1-4,9,17H,5-6H2,(H,15,18)/t9-/m0/s1
InChIKeyFKMBWHXFYQIPDA-VIFPVBQESA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
methyl (2S,4S)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 6933985
methyl 4-hydroxy-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 2783038
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
(2S)-2-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682537
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140293
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide?
The IUPAC name of (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide (CID 1483774) is (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide.
What is the SMILES notation for (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide?
The canonical SMILES for (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H](O)CO1.
What is the InChIKey of (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide?
The InChIKey is FKMBWHXFYQIPDA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)7-2-1-3-8(4-7)15-10(18)16-5-9(17)6-19-16/h1-4,9,17H,5-6H2,(H,15,18)/t9-/m0/s1.
What are the key properties of (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide?
(4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide has a molecular weight of 276.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 1483774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).