(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

C33H32F7NO3 — CID 24969813

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1cc2c(cc1CN1C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]1C)CCCC2
InChIInChI=1S/C33H32F7NO3/c1-17(2)25-14-27(29(43-4)15-28(25)34)26-12-20-8-6-5-7-19(20)9-22(26)16-41-18(3)30(44-31(41)42)21-10-23(32(35,36)37)13-24(11-21)33(38,39)40/h9-15,17-18,30H,5-8,16H2,1-4H3/t18-,30-/m0/s1
InChIKeyWMODEUTVWNUKIZ-PBYQXAPXSA-N
MW623.61 g/mol
LogP9.62
Rot. Bonds6

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]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)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 24969813) has the molecular formula C33H32F7NO3 and a molecular weight of 623.61 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]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)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID24969813
Molecular FormulaC33H32F7NO3
Molecular Weight623.61 g/mol
Exact Mass623.23
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1cc2c(cc1CN1C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]1C)CCCC2
InChIInChI=1S/C33H32F7NO3/c1-17(2)25-14-27(29(43-4)15-28(25)34)26-12-20-8-6-5-7-19(20)9-22(26)16-41-18(3)30(44-31(41)42)21-10-23(32(35,36)37)13-24(11-21)33(38,39)40/h9-15,17-18,30H,5-8,16H2,1-4H3/t18-,30-/m0/s1
InChIKeyWMODEUTVWNUKIZ-PBYQXAPXSA-N
XLogP9.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.61
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Anacetrapib
CID 11556427
Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-methoxy-5'-methyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate
CID 11261706
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl)-3-[(4-bromo-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11556473
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-chloro-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11578015
CID 11592553
CID 11592553
(3,5-Bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-carbamic acid methyl ester
CID 11614176
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyclopropyl-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11628674
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-5'-isopropyl-2'-methoxy-4-methylbiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11649992
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(methylthio)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
CID 11650234
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11657340
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4,4'-difluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11664298
5-[3,5-Bis(trifluoromethyl)phenyl]-3-{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}-1,3-oxazolidin-2-one
CID 11671647

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)-5,6,7,8-tetrahydronaphthalen-2-yl]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)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 24969813) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]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)-5,6,7,8-tetrahydronaphthalen-2-yl]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)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is COc1cc(F)c(C(C)C)cc1-c1cc2c(cc1CN1C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]1C)CCCC2.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is WMODEUTVWNUKIZ-PBYQXAPXSA-N. The full InChI is InChI=1S/C33H32F7NO3/c1-17(2)25-14-27(29(43-4)15-28(25)34)26-12-20-8-6-5-7-19(20)9-22(26)16-41-18(3)30(44-31(41)42)21-10-23(32(35,36)37)13-24(11-21)33(38,39)40/h9-15,17-18,30H,5-8,16H2,1-4H3/t18-,30-/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)-5,6,7,8-tetrahydronaphthalen-2-yl]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)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 623.61 g/mol, XLogP of 9.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 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)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24969813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).