5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

C23H23F2N3O2 — CID 18416549

IUPAC5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O2/c24-16-1-4-18(5-2-16)28-14-19(30-23(28)29)13-27-9-7-15(8-10-27)21-12-26-22-11-17(25)3-6-20(21)22/h1-6,11-12,15,19,26H,7-10,13-14H2
InChIKeyTWYJPDSKGJGEDJ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.65
Rot. Bonds4

About 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 18416549) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID18416549
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC Name5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O2/c24-16-1-4-18(5-2-16)28-14-19(30-23(28)29)13-27-9-7-15(8-10-27)21-12-26-22-11-17(25)3-6-20(21)22/h1-6,11-12,15,19,26H,7-10,13-14H2
InChIKeyTWYJPDSKGJGEDJ-UHFFFAOYSA-N
XLogP4.65
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 18416549) is 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is TWYJPDSKGJGEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-16-1-4-18(5-2-16)28-14-19(30-23(28)29)13-27-9-7-15(8-10-27)21-12-26-22-11-17(25)3-6-20(21)22/h1-6,11-12,15,19,26H,7-10,13-14H2.
What are the key properties of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 411.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18416549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).