(4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C28H27F3N2O2 — CID 90322351

IUPAC(4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESC=C(C)c1cccc(-c2ccc(C)cc2CN2C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)[C@@H]2C)n1
InChIInChI=1S/C28H27F3N2O2/c1-16(2)24-7-6-8-25(32-24)23-10-9-17(3)11-21(23)15-33-19(5)26(35-27(33)34)20-12-18(4)13-22(14-20)28(29,30)31/h6-14,19,26H,1,15H2,2-5H3/t19-,26-/m0/s1
InChIKeyBZJWEDRDBGNZBR-SIBVEZHUSA-N
MW480.53 g/mol
LogP7.50
Rot. Bonds5

About (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 90322351) has the molecular formula C28H27F3N2O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID90322351
Molecular FormulaC28H27F3N2O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name(4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESC=C(C)c1cccc(-c2ccc(C)cc2CN2C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)[C@@H]2C)n1
InChIInChI=1S/C28H27F3N2O2/c1-16(2)24-7-6-8-25(32-24)23-10-9-17(3)11-21(23)15-33-19(5)26(35-27(33)34)20-12-18(4)13-22(14-20)28(29,30)31/h6-14,19,26H,1,15H2,2-5H3/t19-,26-/m0/s1
InChIKeyBZJWEDRDBGNZBR-SIBVEZHUSA-N
XLogP7.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S,5R)-4-methyl-3-[[5-methyl-2-(2-methyl-5-methylsulfonylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 90322424
(4S,5R)-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 90148854
(4S)-3-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118940947
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-methoxy-5-methylsulfinylphenyl)-5-methylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 88580282
3-chloro-4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]benzoic acid
CID 58355999
ethyl 4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-5-methyl-1,3-thiazole-2-carboxylate
CID 58356004
methyl 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylphenyl]-2-fluorophenyl]benzoate
CID 143502117
(4R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 87542865
(4S,5R)-3-[[2-(azetidin-1-yl)-5-bromopyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118600339
(4S,5R)-3-[[5-bromo-2-(3-fluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118600344
(4S,5R)-3-[[3-(cyclohexylmethyl)pyrazin-2-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 158003063
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-hydroxy-5-(2-methylphenyl)phenyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 25008128

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 90322351) is (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is C=C(C)c1cccc(-c2ccc(C)cc2CN2C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)[C@@H]2C)n1.
What is the InChIKey of (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is BZJWEDRDBGNZBR-SIBVEZHUSA-N. The full InChI is InChI=1S/C28H27F3N2O2/c1-16(2)24-7-6-8-25(32-24)23-10-9-17(3)11-21(23)15-33-19(5)26(35-27(33)34)20-12-18(4)13-22(14-20)28(29,30)31/h6-14,19,26H,1,15H2,2-5H3/t19-,26-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 480.53 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-3-[[5-methyl-2-(6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90322351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).