(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

C31H27F10NO2 — CID 59135084

IUPAC(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(F)c(C(C)C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@H]1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C31H27F10NO2/c1-14(2)22-12-23(15(3)7-25(22)32)26-16(4)6-19(29(33,34)35)11-24(26)27-17(5)42(28(43)44-27)13-18-8-20(30(36,37)38)10-21(9-18)31(39,40)41/h6-12,14,17,27H,13H2,1-5H3/t17-,27+/m1/s1
InChIKeyGUOZPSAETQHGON-CRYYWNKWSA-N
MW635.54 g/mol
LogP10.37
Rot. Bonds5

About (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59135084) has the molecular formula C31H27F10NO2 and a molecular weight of 635.54 g/mol. Its IUPAC name is (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID59135084
Molecular FormulaC31H27F10NO2
Molecular Weight635.54 g/mol
Exact Mass635.19
IUPAC Name(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(F)c(C(C)C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@H]1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C31H27F10NO2/c1-14(2)22-12-23(15(3)7-25(22)32)26-16(4)6-19(29(33,34)35)11-24(26)27-17(5)42(28(43)44-27)13-18-8-20(30(36,37)38)10-21(9-18)31(39,40)41/h6-12,14,17,27H,13H2,1-5H3/t17-,27+/m1/s1
InChIKeyGUOZPSAETQHGON-CRYYWNKWSA-N
XLogP10.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.54
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 59135084) is (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cc(F)c(C(C)C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@H]1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is GUOZPSAETQHGON-CRYYWNKWSA-N. The full InChI is InChI=1S/C31H27F10NO2/c1-14(2)22-12-23(15(3)7-25(22)32)26-16(4)6-19(29(33,34)35)11-24(26)27-17(5)42(28(43)44-27)13-18-8-20(30(36,37)38)10-21(9-18)31(39,40)41/h6-12,14,17,27H,13H2,1-5H3/t17-,27+/m1/s1.
What are the key properties of (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 635.54 g/mol, XLogP of 10.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).