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

C34H32F7NO3 — CID 57394194

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C2=CCCC2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C34H32F7NO3/c1-18(2)27-15-28(30(44-4)16-29(27)35)26-10-9-21(20-7-5-6-8-20)11-23(26)17-42-19(3)31(45-32(42)43)22-12-24(33(36,37)38)14-25(13-22)34(39,40)41/h7,9-16,18-19,31H,5-6,8,17H2,1-4H3/t19-,31-/m0/s1
InChIKeyHVRSUMGIPHJDGP-RQZFFVEVSA-N
MW635.62 g/mol
LogP10.31
Rot. Bonds7

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

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 57394194) has the molecular formula C34H32F7NO3 and a molecular weight of 635.62 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID57394194
Molecular FormulaC34H32F7NO3
Molecular Weight635.62 g/mol
Exact Mass635.23
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C2=CCCC2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C34H32F7NO3/c1-18(2)27-15-28(30(44-4)16-29(27)35)26-10-9-21(20-7-5-6-8-20)11-23(26)17-42-19(3)31(45-32(42)43)22-12-24(33(36,37)38)14-25(13-22)34(39,40)41/h7,9-16,18-19,31H,5-6,8,17H2,1-4H3/t19-,31-/m0/s1
InChIKeyHVRSUMGIPHJDGP-RQZFFVEVSA-N
XLogP10.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.62
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 57394194) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is COc1cc(F)c(C(C)C)cc1-c1ccc(C2=CCCC2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is HVRSUMGIPHJDGP-RQZFFVEVSA-N. The full InChI is InChI=1S/C34H32F7NO3/c1-18(2)27-15-28(30(44-4)16-29(27)35)26-10-9-21(20-7-5-6-8-20)11-23(26)17-42-19(3)31(45-32(42)43)22-12-24(33(36,37)38)14-25(13-22)34(39,40)41/h7,9-16,18-19,31H,5-6,8,17H2,1-4H3/t19-,31-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 635.62 g/mol, XLogP of 10.31, 7 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-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57394194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).