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

C26H30FN3O5 — CID 68676533

IUPAC4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3N3CCOCC3)C(=O)O2)c(C)c1
InChIInChI=1S/C26H30FN3O5/c1-17-6-7-20(18(2)14-17)23(31)8-9-24(32)28-15-19-16-30(26(33)35-19)22-5-3-4-21(27)25(22)29-10-12-34-13-11-29/h3-7,14,19H,8-13,15-16H2,1-2H3,(H,28,32)
InChIKeyZKFWODUPMXLBGW-UHFFFAOYSA-N
MW483.54 g/mol
LogP3.38
Rot. Bonds8

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

4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (PubChem CID 68676533) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
PubChem CID68676533
Molecular FormulaC26H30FN3O5
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3N3CCOCC3)C(=O)O2)c(C)c1
InChIInChI=1S/C26H30FN3O5/c1-17-6-7-20(18(2)14-17)23(31)8-9-24(32)28-15-19-16-30(26(33)35-19)22-5-3-4-21(27)25(22)29-10-12-34-13-11-29/h3-7,14,19H,8-13,15-16H2,1-2H3,(H,28,32)
InChIKeyZKFWODUPMXLBGW-UHFFFAOYSA-N
XLogP3.38
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 68675773
N-[[3-(3-fluoro-2-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 90830420
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
2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 90213724
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (CID 68676533) is 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-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-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3N3CCOCC3)C(=O)O2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The InChIKey is ZKFWODUPMXLBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-17-6-7-20(18(2)14-17)23(31)8-9-24(32)28-15-19-16-30(26(33)35-19)22-5-3-4-21(27)25(22)29-10-12-34-13-11-29/h3-7,14,19H,8-13,15-16H2,1-2H3,(H,28,32).
What are the key properties of 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide has a molecular weight of 483.54 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 68676533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).