3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide

C20H17F3N2O4 — CID 10905576

IUPAC3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)14-6-8-15(9-7-14)24-17(26)11-18(27)25-16(12-29-19(25)28)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,24,26)/t16-/m0/s1
InChIKeyNQBRZNBPOJMWJY-INIZCTEOSA-N
MW406.36 g/mol
LogP3.62
Rot. Bonds5

About 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide

3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 10905576) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID10905576
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)14-6-8-15(9-7-14)24-17(26)11-18(27)25-16(12-29-19(25)28)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,24,26)/t16-/m0/s1
InChIKeyNQBRZNBPOJMWJY-INIZCTEOSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
(R)-3-(3-fluoro-4-(tetrahydro-2H-pyran-4-yl)phenyl)-2-oxooxazolidine-5-carboxamide
CID 9879646
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-fluorophenyl)ethyl)phenyl)-
CID 3069251
(S)-(-)-N-[3-[4-(3,6-Dihydro-2H-pyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl acetamide
CID 9905709
N-[[3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21907473
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-(trifluoromethyl)phenyl)ethyl)phenyl)-, monohydrochloride
CID 3069255
N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011285
(5S)-5-Acetylaminomethyl-3-[4-(pentafluoroethyl)phenyl]oxazolidin-2-one
CID 14011342
2-(4-fluorophenyl)-N-((3-(4-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
CID 16920797
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 145965978
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2,2-trifluoroacetamide
CID 145977352

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide (CID 10905576) is 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NQBRZNBPOJMWJY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c21-20(22,23)14-6-8-15(9-7-14)24-17(26)11-18(27)25-16(12-29-19(25)28)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,24,26)/t16-/m0/s1.
What are the key properties of 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 406.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 10905576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).