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

C19H15F4N3O3 — CID 86279286

IUPAC(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
SMILESCC(F)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)c(F)c1F
InChIInChI=1S/C19H15F4N3O3/c1-19(22,23)8-29-15-5-3-11(16(20)17(15)21)14-7-28-18(27)26(14)10-2-4-12-13(6-10)25-9-24-12/h2-6,9,14H,7-8H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyNXCOQKAPJZLWHP-CQSZACIVSA-N
MW409.34 g/mol
LogP4.57
Rot. Bonds5

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

(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 86279286) has the molecular formula C19H15F4N3O3 and a molecular weight of 409.34 g/mol. Its IUPAC name is (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
PubChem CID86279286
Molecular FormulaC19H15F4N3O3
Molecular Weight409.34 g/mol
Exact Mass409.10
IUPAC Name(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
SMILESCC(F)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)c(F)c1F
InChIInChI=1S/C19H15F4N3O3/c1-19(22,23)8-29-15-5-3-11(16(20)17(15)21)14-7-28-18(27)26(14)10-2-4-12-13(6-10)25-9-24-12/h2-6,9,14H,7-8H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyNXCOQKAPJZLWHP-CQSZACIVSA-N
XLogP4.57
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one (CID 86279286) is (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one is CC(F)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)c(F)c1F.
What is the InChIKey of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is NXCOQKAPJZLWHP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15F4N3O3/c1-19(22,23)8-29-15-5-3-11(16(20)17(15)21)14-7-28-18(27)26(14)10-2-4-12-13(6-10)25-9-24-12/h2-6,9,14H,7-8H2,1H3,(H,24,25)/t14-/m1/s1.
What are the key properties of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one?
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 409.34 g/mol, XLogP of 4.57, 5 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-(2,2-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86279286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).