(4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one

C24H20F3NO4 — CID 129273412

IUPAC(4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cccc(OC(F)(F)F)c2)OC(=O)N1C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C24H20F3NO4/c1-15-22(18-9-5-10-19(14-18)32-24(25,26)27)31-23(30)28(15)21(29)13-12-17-8-4-7-16-6-2-3-11-20(16)17/h2-11,14-15,22H,12-13H2,1H3/t15-,22-/m0/s1
InChIKeySCBLPEHMNKZWCZ-NYHFZMIOSA-N
MW443.42 g/mol
LogP5.78
Rot. Bonds5

About (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one (PubChem CID 129273412) has the molecular formula C24H20F3NO4 and a molecular weight of 443.42 g/mol. Its IUPAC name is (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one
PubChem CID129273412
Molecular FormulaC24H20F3NO4
Molecular Weight443.42 g/mol
Exact Mass443.13
IUPAC Name(4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cccc(OC(F)(F)F)c2)OC(=O)N1C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C24H20F3NO4/c1-15-22(18-9-5-10-19(14-18)32-24(25,26)27)31-23(30)28(15)21(29)13-12-17-8-4-7-16-6-2-3-11-20(16)17/h2-11,14-15,22H,12-13H2,1H3/t15-,22-/m0/s1
InChIKeySCBLPEHMNKZWCZ-NYHFZMIOSA-N
XLogP5.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one (CID 129273412) is (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2cccc(OC(F)(F)F)c2)OC(=O)N1C(=O)CCc1cccc2ccccc12.
What is the InChIKey of (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SCBLPEHMNKZWCZ-NYHFZMIOSA-N. The full InChI is InChI=1S/C24H20F3NO4/c1-15-22(18-9-5-10-19(14-18)32-24(25,26)27)31-23(30)28(15)21(29)13-12-17-8-4-7-16-6-2-3-11-20(16)17/h2-11,14-15,22H,12-13H2,1H3/t15-,22-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 443.42 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-3-(3-naphthalen-1-ylpropanoyl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129273412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).