N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C22H24FN3O4 — CID 42841433

IUPACN-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)C1C(c2ccc(NC(=O)CC)cc2)OC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C22H24FN3O4/c1-3-18(27)25-17-10-8-15(9-11-17)20-19(21(28)24-4-2)26(22(29)30-20)13-14-6-5-7-16(23)12-14/h5-12,19-20H,3-4,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyNGLHLAPITGYIDI-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.37
Rot. Bonds7

About N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42841433) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
PubChem CID42841433
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC NameN-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)C1C(c2ccc(NC(=O)CC)cc2)OC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C22H24FN3O4/c1-3-18(27)25-17-10-8-15(9-11-17)20-19(21(28)24-4-2)26(22(29)30-20)13-14-6-5-7-16(23)12-14/h5-12,19-20H,3-4,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyNGLHLAPITGYIDI-UHFFFAOYSA-N
XLogP3.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841414
5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841409
3-benzyl-5-[4-(butanoylamino)phenyl]-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840746
(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93200917
(4R,5R)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93200914
3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841392
(4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203419
3-[(3-methylphenyl)methyl]-2-oxo-N-(1-phenylethyl)-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840873
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840818
N-(4-fluorophenyl)-5-[4-(3-methylbutanoylamino)phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021108
3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 42841433) is N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CCNC(=O)C1C(c2ccc(NC(=O)CC)cc2)OC(=O)N1Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is NGLHLAPITGYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-3-18(27)25-17-10-8-15(9-11-17)20-19(21(28)24-4-2)26(22(29)30-20)13-14-6-5-7-16(23)12-14/h5-12,19-20H,3-4,13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).