(4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one

C16H20FN3O2 — CID 131635499

IUPAC(4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2cccc(F)c2)N1C1CCC2NCNC2C1
InChIInChI=1S/C16H20FN3O2/c17-11-3-1-2-10(6-11)15-8-22-16(21)20(15)12-4-5-13-14(7-12)19-9-18-13/h1-3,6,12-15,18-19H,4-5,7-9H2/t12?,13?,14?,15-/m1/s1
InChIKeyCHTKUFVSQSNNMH-MLGYPOCJSA-N
MW305.35 g/mol
LogP1.76
Rot. Bonds2

About (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one

(4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 131635499) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID131635499
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2cccc(F)c2)N1C1CCC2NCNC2C1
InChIInChI=1S/C16H20FN3O2/c17-11-3-1-2-10(6-11)15-8-22-16(21)20(15)12-4-5-13-14(7-12)19-9-18-13/h1-3,6,12-15,18-19H,4-5,7-9H2/t12?,13?,14?,15-/m1/s1
InChIKeyCHTKUFVSQSNNMH-MLGYPOCJSA-N
XLogP1.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one (CID 131635499) is (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OC[C@H](c2cccc(F)c2)N1C1CCC2NCNC2C1.
What is the InChIKey of (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is CHTKUFVSQSNNMH-MLGYPOCJSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-11-3-1-2-10(6-11)15-8-22-16(21)20(15)12-4-5-13-14(7-12)19-9-18-13/h1-3,6,12-15,18-19H,4-5,7-9H2/t12?,13?,14?,15-/m1/s1.
What are the key properties of (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one?
(4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 305.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-5-yl)-4-(3-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131635499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).