5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide

C28H22F2N2O4 — CID 155532431

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3C(=O)OC[C@@H]3c3cccc(F)c3)c(C3CC3)cc12
InChIInChI=1S/C28H22F2N2O4/c1-31-27(33)25-21-12-20(15-5-6-15)22(13-24(21)36-26(25)16-7-9-18(29)10-8-16)32-23(14-35-28(32)34)17-3-2-4-19(30)11-17/h2-4,7-13,15,23H,5-6,14H2,1H3,(H,31,33)/t23-/m1/s1
InChIKeyYXHHXJVTOBHJGW-HSZRJFAPSA-N
MW488.49 g/mol
LogP6.31
Rot. Bonds5

About 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide

5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 155532431) has the molecular formula C28H22F2N2O4 and a molecular weight of 488.49 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID155532431
Molecular FormulaC28H22F2N2O4
Molecular Weight488.49 g/mol
Exact Mass488.15
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3C(=O)OC[C@@H]3c3cccc(F)c3)c(C3CC3)cc12
InChIInChI=1S/C28H22F2N2O4/c1-31-27(33)25-21-12-20(15-5-6-15)22(13-24(21)36-26(25)16-7-9-18(29)10-8-16)32-23(14-35-28(32)34)17-3-2-4-19(30)11-17/h2-4,7-13,15,23H,5-6,14H2,1H3,(H,31,33)/t23-/m1/s1
InChIKeyYXHHXJVTOBHJGW-HSZRJFAPSA-N
XLogP6.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide (CID 155532431) is 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3C(=O)OC[C@@H]3c3cccc(F)c3)c(C3CC3)cc12.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is YXHHXJVTOBHJGW-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H22F2N2O4/c1-31-27(33)25-21-12-20(15-5-6-15)22(13-24(21)36-26(25)16-7-9-18(29)10-8-16)32-23(14-35-28(32)34)17-3-2-4-19(30)11-17/h2-4,7-13,15,23H,5-6,14H2,1H3,(H,31,33)/t23-/m1/s1.
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide?
5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-6-[(4S)-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 155532431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).