(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C11H10F3NO3 — CID 171183951

IUPAC(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc([C@H]2COC(=O)N2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO3/c1-17-8-3-6(9-5-18-10(16)15-9)2-7(4-8)11(12,13)14/h2-4,9H,5H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyPQIPLSVMDWAFPK-SECBINFHSA-N
MW261.20 g/mol
LogP2.49
Rot. Bonds2

About (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 171183951) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID171183951
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc([C@H]2COC(=O)N2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO3/c1-17-8-3-6(9-5-18-10(16)15-9)2-7(4-8)11(12,13)14/h2-4,9H,5H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyPQIPLSVMDWAFPK-SECBINFHSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(4R)-5,5-difluoro-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171188313
(4S)-4-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184157
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662
(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185109
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 171184318
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
CID 143702720
(4S)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171186072

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 171183951) is (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is COc1cc([C@H]2COC(=O)N2)cc(C(F)(F)F)c1.
What is the InChIKey of (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PQIPLSVMDWAFPK-SECBINFHSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-17-8-3-6(9-5-18-10(16)15-9)2-7(4-8)11(12,13)14/h2-4,9H,5H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 261.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171183951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).