5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide

C36H35FN2O6 — CID 11520052

IUPAC5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide
SMILESCC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C36H35FN2O6/c1-3-27(35(41)39-29(23-44-36(39)42)20-24-7-5-4-6-8-24)19-26-11-18-33(43-2)32(21-26)34(40)38-22-25-9-14-30(15-10-25)45-31-16-12-28(37)13-17-31/h4-18,21,27,29H,3,19-20,22-23H2,1-2H3,(H,38,40)/t27-,29+/m1/s1
InChIKeyGAKNTSDFJDKWGC-PXJZQJOASA-N
MW610.68 g/mol
LogP6.72
Rot. Bonds12

About 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide

5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide (PubChem CID 11520052) has the molecular formula C36H35FN2O6 and a molecular weight of 610.68 g/mol. Its IUPAC name is 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide
PubChem CID11520052
Molecular FormulaC36H35FN2O6
Molecular Weight610.68 g/mol
Exact Mass610.25
IUPAC Name5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide
SMILESCC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C36H35FN2O6/c1-3-27(35(41)39-29(23-44-36(39)42)20-24-7-5-4-6-8-24)19-26-11-18-33(43-2)32(21-26)34(40)38-22-25-9-14-30(15-10-25)45-31-16-12-28(37)13-17-31/h4-18,21,27,29H,3,19-20,22-23H2,1-2H3,(H,38,40)/t27-,29+/m1/s1
InChIKeyGAKNTSDFJDKWGC-PXJZQJOASA-N
XLogP6.72
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.68
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide with MolForge

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Related Compounds

5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 18678028
benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate
CID 23553060
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
ethyl 2-[[4-methoxy-3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 10874221
(2S)-3-[3-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]-2-methylpropanoic acid
CID 58031797
(4S)-4-benzyl-3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 57409325
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 134834760
2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11760451
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
(2S)-2-[[3-[[4-(4-hydroxyphenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]methyl]pentanoic acid
CID 139985268
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(3-methoxyphenyl)methyl]-4-oxobutanoate
CID 51355179

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide (CID 11520052) is 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide is CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide?
The InChIKey is GAKNTSDFJDKWGC-PXJZQJOASA-N. The full InChI is InChI=1S/C36H35FN2O6/c1-3-27(35(41)39-29(23-44-36(39)42)20-24-7-5-4-6-8-24)19-26-11-18-33(43-2)32(21-26)34(40)38-22-25-9-14-30(15-10-25)45-31-16-12-28(37)13-17-31/h4-18,21,27,29H,3,19-20,22-23H2,1-2H3,(H,38,40)/t27-,29+/m1/s1.
What are the key properties of 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide?
5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide has a molecular weight of 610.68 g/mol, XLogP of 6.72, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 11520052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).