(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one

C20H16F4N4O2 — CID 86279356

IUPAC(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2c(F)cc(N3CCC(F)(F)C3)cc2F)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H16F4N4O2/c21-13-5-12(27-4-3-20(23,24)9-27)6-14(22)18(13)17-8-30-19(29)28(17)11-1-2-15-16(7-11)26-10-25-15/h1-2,5-7,10,17H,3-4,8-9H2,(H,25,26)/t17-/m1/s1
InChIKeyWSDPNWQMGRSXAN-QGZVFWFLSA-N
MW420.37 g/mol
LogP4.38
Rot. Bonds3

About (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one

(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 86279356) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one
PubChem CID86279356
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC Name(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2c(F)cc(N3CCC(F)(F)C3)cc2F)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H16F4N4O2/c21-13-5-12(27-4-3-20(23,24)9-27)6-14(22)18(13)17-8-30-19(29)28(17)11-1-2-15-16(7-11)26-10-25-15/h1-2,5-7,10,17H,3-4,8-9H2,(H,25,26)/t17-/m1/s1
InChIKeyWSDPNWQMGRSXAN-QGZVFWFLSA-N
XLogP4.38
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-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-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one (CID 86279356) is (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](c2c(F)cc(N3CCC(F)(F)C3)cc2F)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is WSDPNWQMGRSXAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c21-13-5-12(27-4-3-20(23,24)9-27)6-14(22)18(13)17-8-30-19(29)28(17)11-1-2-15-16(7-11)26-10-25-15/h1-2,5-7,10,17H,3-4,8-9H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one?
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 420.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86279356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).