5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one

C20H19F3N4O3 — CID 155386798

IUPAC5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC(F)(F)c1cc(-c2cncc(CN3CC(C(=O)N4CCC4)OC3=O)n2)ccc1F
InChIInChI=1S/C20H19F3N4O3/c1-20(22,23)14-7-12(3-4-15(14)21)16-9-24-8-13(25-16)10-27-11-17(30-19(27)29)18(28)26-5-2-6-26/h3-4,7-9,17H,2,5-6,10-11H2,1H3
InChIKeySBYYLOMCHANCFL-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.95
Rot. Bonds5

About 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one

5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 155386798) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID155386798
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC(F)(F)c1cc(-c2cncc(CN3CC(C(=O)N4CCC4)OC3=O)n2)ccc1F
InChIInChI=1S/C20H19F3N4O3/c1-20(22,23)14-7-12(3-4-15(14)21)16-9-24-8-13(25-16)10-27-11-17(30-19(27)29)18(28)26-5-2-6-26/h3-4,7-9,17H,2,5-6,10-11H2,1H3
InChIKeySBYYLOMCHANCFL-UHFFFAOYSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one (CID 155386798) is 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one is CC(F)(F)c1cc(-c2cncc(CN3CC(C(=O)N4CCC4)OC3=O)n2)ccc1F.
What is the InChIKey of 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is SBYYLOMCHANCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-20(22,23)14-7-12(3-4-15(14)21)16-9-24-8-13(25-16)10-27-11-17(30-19(27)29)18(28)26-5-2-6-26/h3-4,7-9,17H,2,5-6,10-11H2,1H3.
What are the key properties of 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one?
5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 420.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)-3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).