5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C31H31F3N2O5 — CID 18678028

IUPAC5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C31H31F3N2O5/c1-3-23(29(38)36-25(19-41-30(36)39)16-20-7-5-4-6-8-20)15-22-11-14-27(40-2)26(17-22)28(37)35-18-21-9-12-24(13-10-21)31(32,33)34/h4-14,17,23,25H,3,15-16,18-19H2,1-2H3,(H,35,37)
InChIKeyVONUETFPVCYQBT-UHFFFAOYSA-N
MW568.59 g/mol
LogP5.80
Rot. Bonds10

About 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 18678028) has the molecular formula C31H31F3N2O5 and a molecular weight of 568.59 g/mol. Its IUPAC name is 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID18678028
Molecular FormulaC31H31F3N2O5
Molecular Weight568.59 g/mol
Exact Mass568.22
IUPAC Name5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C31H31F3N2O5/c1-3-23(29(38)36-25(19-41-30(36)39)16-20-7-5-4-6-8-20)15-22-11-14-27(40-2)26(17-22)28(37)35-18-21-9-12-24(13-10-21)31(32,33)34/h4-14,17,23,25H,3,15-16,18-19H2,1-2H3,(H,35,37)
InChIKeyVONUETFPVCYQBT-UHFFFAOYSA-N
XLogP5.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide
CID 11520052
benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate
CID 23553060
(4S)-4-benzyl-3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 57409325
ethyl 2-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 10972172
4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 134834760
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
(2S)-2-[[4-fluoro-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11567447
2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11760451
ethyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,2-difluoro-3-methyl-4-oxobutanoate
CID 11024666
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(3-methoxyphenyl)methyl]-4-oxobutanoate
CID 51355179
2-[[3-[3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-methoxyphenyl]phenyl]methyl]butanoic acid
CID 59218928
4-benzyl-3-[(2S)-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 162562883

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 18678028) is 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is VONUETFPVCYQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F3N2O5/c1-3-23(29(38)36-25(19-41-30(36)39)16-20-7-5-4-6-8-20)15-22-11-14-27(40-2)26(17-22)28(37)35-18-21-9-12-24(13-10-21)31(32,33)34/h4-14,17,23,25H,3,15-16,18-19H2,1-2H3,(H,35,37).
What are the key properties of 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 568.59 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 18678028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).