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

C31H29F7N2O3 — CID 24969647

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=C(C)c1ccc(-c2cc(C(C)C)c(F)cc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1
InChIInChI=1S/C31H29F7N2O3/c1-15(2)22-12-23(27(42-6)13-24(22)32)21-7-8-25(16(3)4)39-26(21)14-40-17(5)28(43-29(40)41)18-9-19(30(33,34)35)11-20(10-18)31(36,37)38/h7-13,15,17,28H,3,14H2,1-2,4-6H3/t17-,28-/m0/s1
InChIKeyGPAJCUSEGXHOML-HPGBDJQBSA-N
MW610.57 g/mol
LogP9.17
Rot. Bonds7

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

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 24969647) has the molecular formula C31H29F7N2O3 and a molecular weight of 610.57 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID24969647
Molecular FormulaC31H29F7N2O3
Molecular Weight610.57 g/mol
Exact Mass610.21
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=C(C)c1ccc(-c2cc(C(C)C)c(F)cc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1
InChIInChI=1S/C31H29F7N2O3/c1-15(2)22-12-23(27(42-6)13-24(22)32)21-7-8-25(16(3)4)39-26(21)14-40-17(5)28(43-29(40)41)18-9-19(30(33,34)35)11-20(10-18)31(36,37)38/h7-13,15,17,28H,3,14H2,1-2,4-6H3/t17-,28-/m0/s1
InChIKeyGPAJCUSEGXHOML-HPGBDJQBSA-N
XLogP9.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 24969647) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one is C=C(C)c1ccc(-c2cc(C(C)C)c(F)cc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is GPAJCUSEGXHOML-HPGBDJQBSA-N. The full InChI is InChI=1S/C31H29F7N2O3/c1-15(2)22-12-23(27(42-6)13-24(22)32)21-7-8-25(16(3)4)39-26(21)14-40-17(5)28(43-29(40)41)18-9-19(30(33,34)35)11-20(10-18)31(36,37)38/h7-13,15,17,28H,3,14H2,1-2,4-6H3/t17-,28-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 610.57 g/mol, XLogP of 9.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-6-prop-1-en-2-yl-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24969647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).