3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

C18H17F3N4O3 — CID 155396903

IUPAC3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)C1CN(Cc2cncc(-c3ccc(F)c(C(C)(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C18H17F3N4O3/c1-18(20,21)12-5-10(3-4-13(12)19)14-7-23-6-11(24-14)8-25-9-15(16(26)22-2)28-17(25)27/h3-7,15H,8-9H2,1-2H3,(H,22,26)
InChIKeyHYVWEWVGYAZONS-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.46
Rot. Bonds5

About 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 155396903) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID155396903
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)C1CN(Cc2cncc(-c3ccc(F)c(C(C)(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C18H17F3N4O3/c1-18(20,21)12-5-10(3-4-13(12)19)14-7-23-6-11(24-14)8-25-9-15(16(26)22-2)28-17(25)27/h3-7,15H,8-9H2,1-2H3,(H,22,26)
InChIKeyHYVWEWVGYAZONS-UHFFFAOYSA-N
XLogP2.46
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (CID 155396903) is 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)C1CN(Cc2cncc(-c3ccc(F)c(C(C)(F)F)c3)n2)C(=O)O1.
What is the InChIKey of 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is HYVWEWVGYAZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-18(20,21)12-5-10(3-4-13(12)19)14-7-23-6-11(24-14)8-25-9-15(16(26)22-2)28-17(25)27/h3-7,15H,8-9H2,1-2H3,(H,22,26).
What are the key properties of 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 155396903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).