(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one

C24H17F6NO4 — CID 129273663

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)COc1cccc2ccccc12
InChIInChI=1S/C24H17F6NO4/c1-13-21(15-9-16(23(25,26)27)11-17(10-15)24(28,29)30)35-22(33)31(13)20(32)12-34-19-8-4-6-14-5-2-3-7-18(14)19/h2-11,13,21H,12H2,1H3/t13-,21-/m0/s1
InChIKeyBSMCNMASBAWOMY-ZSEKCTLFSA-N
MW497.39 g/mol
LogP6.36
Rot. Bonds4

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one (PubChem CID 129273663) has the molecular formula C24H17F6NO4 and a molecular weight of 497.39 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one
PubChem CID129273663
Molecular FormulaC24H17F6NO4
Molecular Weight497.39 g/mol
Exact Mass497.11
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)COc1cccc2ccccc12
InChIInChI=1S/C24H17F6NO4/c1-13-21(15-9-16(23(25,26)27)11-17(10-15)24(28,29)30)35-22(33)31(13)20(32)12-34-19-8-4-6-14-5-2-3-7-18(14)19/h2-11,13,21H,12H2,1H3/t13-,21-/m0/s1
InChIKeyBSMCNMASBAWOMY-ZSEKCTLFSA-N
XLogP6.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11141410, Example 90
CID 129248994
US11141410, Example 69
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(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethoxy)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
CID 11664637
(R)-6-{(S)-2-Ethoxy-3-[(S)-4-benzyl-2-oxo-3-oxazolidinyl]-3-oxopropyl}-2-[4-(3-fluorobenzyloxy)benzyl]-2H-benzopyran
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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one (CID 129273663) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)COc1cccc2ccccc12.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one?
The InChIKey is BSMCNMASBAWOMY-ZSEKCTLFSA-N. The full InChI is InChI=1S/C24H17F6NO4/c1-13-21(15-9-16(23(25,26)27)11-17(10-15)24(28,29)30)35-22(33)31(13)20(32)12-34-19-8-4-6-14-5-2-3-7-18(14)19/h2-11,13,21H,12H2,1H3/t13-,21-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one has a molecular weight of 497.39 g/mol, XLogP of 6.36, 4 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]-4-methyl-3-(2-naphthalen-1-yloxyacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 129273663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).