4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide

C20H19FN2O4 — CID 110632616

IUPAC4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C20H19FN2O4/c21-17-9-5-4-8-16(17)18(24)10-11-19(25)22-12-15-13-23(20(26)27-15)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,22,25)
InChIKeyIYJBTLHRAHWSOC-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.93
Rot. Bonds7

About 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide

4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide (PubChem CID 110632616) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
PubChem CID110632616
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C20H19FN2O4/c21-17-9-5-4-8-16(17)18(24)10-11-19(25)22-12-15-13-23(20(26)27-15)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,22,25)
InChIKeyIYJBTLHRAHWSOC-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110632601
N-[[3-(3-fluoro-2-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 90830420
2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920792
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
CID 110632574
3-morpholin-4-ylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110310974
N,N-dimethyl-4-[3-oxo-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methylamino]propyl]benzamide
CID 110311010
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920424

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide?
The IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide (CID 110632616) is 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide is O=C(CCC(=O)c1ccccc1F)NCC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide?
The InChIKey is IYJBTLHRAHWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-17-9-5-4-8-16(17)18(24)10-11-19(25)22-12-15-13-23(20(26)27-15)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,22,25).
What are the key properties of 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide?
4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide has a molecular weight of 370.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide is sourced from PubChem (CID 110632616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).