4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide

C26H30FN3O4 — CID 68675773

IUPAC4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3C3CCNC3)C(=O)O2)c(C)c1
InChIInChI=1S/C26H30FN3O4/c1-16-6-7-20(17(2)12-16)23(31)8-9-24(32)29-14-19-15-30(26(33)34-19)22-5-3-4-21(27)25(22)18-10-11-28-13-18/h3-7,12,18-19,28H,8-11,13-15H2,1-2H3,(H,29,32)
InChIKeyITJQLLCMJLZHFY-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.62
Rot. Bonds8

About 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide

4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (PubChem CID 68675773) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
PubChem CID68675773
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3C3CCNC3)C(=O)O2)c(C)c1
InChIInChI=1S/C26H30FN3O4/c1-16-6-7-20(17(2)12-16)23(31)8-9-24(32)29-14-19-15-30(26(33)34-19)22-5-3-4-21(27)25(22)18-10-11-28-13-18/h3-7,12,18-19,28H,8-11,13-15H2,1-2H3,(H,29,32)
InChIKeyITJQLLCMJLZHFY-UHFFFAOYSA-N
XLogP3.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
CID 68674342
4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 68676533
N-[[(5S)-3-(3-fluoro-2-piperidin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 68674439
N-[[3-[4-(benzotriazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2,4-dimethylphenyl)-4-oxobutanamide
CID 68676410
4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
CID 110632616
4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 68676321
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-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
N-[[3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 20842786
2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 51451946
N-[[(5S)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273834
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (CID 68675773) is 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3C3CCNC3)C(=O)O2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The InChIKey is ITJQLLCMJLZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-16-6-7-20(17(2)12-16)23(31)8-9-24(32)29-14-19-15-30(26(33)34-19)22-5-3-4-21(27)25(22)18-10-11-28-13-18/h3-7,12,18-19,28H,8-11,13-15H2,1-2H3,(H,29,32).
What are the key properties of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide has a molecular weight of 467.54 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 68675773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).