6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide

C28H25FN2O4 — CID 123725382

IUPAC6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
SMILESCCC1OC(=O)N(c2cc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc2-c2ccccc2)C1C
InChIInChI=1S/C28H25FN2O4/c1-4-23-16(2)31(28(33)35-23)22-15-24-21(14-20(22)17-8-6-5-7-9-17)25(27(32)30-3)26(34-24)18-10-12-19(29)13-11-18/h5-16,23H,4H2,1-3H3,(H,30,32)
InChIKeyOEZFWPLOQIMUIF-UHFFFAOYSA-N
MW472.52 g/mol
LogP6.39
Rot. Bonds5

About 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide

6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide (PubChem CID 123725382) has the molecular formula C28H25FN2O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
PubChem CID123725382
Molecular FormulaC28H25FN2O4
Molecular Weight472.52 g/mol
Exact Mass472.18
IUPAC Name6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
SMILESCCC1OC(=O)N(c2cc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc2-c2ccccc2)C1C
InChIInChI=1S/C28H25FN2O4/c1-4-23-16(2)31(28(33)35-23)22-15-24-21(14-20(22)17-8-6-5-7-9-17)25(27(32)30-3)26(34-24)18-10-12-19(29)13-11-18/h5-16,23H,4H2,1-3H3,(H,30,32)
InChIKeyOEZFWPLOQIMUIF-UHFFFAOYSA-N
XLogP6.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(propyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378086
2-(4-fluorophenyl)-N-methyl-6-[3-methylbutyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378190
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(3-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide
CID 118341018
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(prop-2-enyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378508
2-(4-fluorophenyl)-N-methyl-4-oxo-6-phenylpyran-3-carboxamide
CID 22750632
6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide
CID 22750630
ethane;5-[3-(ethylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 143956901
8-(4-fluorophenyl)-7-N,5-dimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepine-3,7-dicarboxamide
CID 121481130
2-(4-fluorophenyl)-N-methyl-6-[(1-methylsulfonyl-1-phenylethyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 71140049
6-(4-cyanobutylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
CID 71140160
2-(4-fluorophenyl)-5-(3-formyl-4-propylphenyl)-N-methyl-6-propyl-1-benzofuran-3-carboxamide
CID 118684726
2-(4-fluorophenyl)-5-(3-formylphenyl)-N-methyl-6-propyl-1-benzofuran-3-carboxamide;methanol
CID 144727279

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide (CID 123725382) is 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide is CCC1OC(=O)N(c2cc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc2-c2ccccc2)C1C.
What is the InChIKey of 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is OEZFWPLOQIMUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O4/c1-4-23-16(2)31(28(33)35-23)22-15-24-21(14-20(22)17-8-6-5-7-9-17)25(27(32)30-3)26(34-24)18-10-12-19(29)13-11-18/h5-16,23H,4H2,1-3H3,(H,30,32).
What are the key properties of 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide?
6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123725382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).