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

C11H10F3NO2 — CID 69224006

IUPAC(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1NC(=O)O[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-6-9(17-10(16)15-6)7-2-4-8(5-3-7)11(12,13)14/h2-6,9H,1H3,(H,15,16)/t6?,9-/m1/s1
InChIKeyPQIRHUYBEQYSJP-IOJJLOCKSA-N
MW245.20 g/mol
LogP2.87
Rot. Bonds1

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

(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69224006) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69224006
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1NC(=O)O[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-6-9(17-10(16)15-6)7-2-4-8(5-3-7)11(12,13)14/h2-6,9H,1H3,(H,15,16)/t6?,9-/m1/s1
InChIKeyPQIRHUYBEQYSJP-IOJJLOCKSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 77401770
(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118602022
(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 126691968
(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 13307960
(5R)-5-(3,5-dichlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 70899650
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 175307189
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
CID 91215851
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole
CID 162605012

Frequently Asked Questions

What is the IUPAC name of (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 69224006) is (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1NC(=O)O[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PQIRHUYBEQYSJP-IOJJLOCKSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-6-9(17-10(16)15-6)7-2-4-8(5-3-7)11(12,13)14/h2-6,9H,1H3,(H,15,16)/t6?,9-/m1/s1.
What are the key properties of (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69224006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).