3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C17H16F3N3O3 — CID 155386749

IUPAC3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(Cc2cncc(-c3ccc(F)c(OC(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C17H16F3N3O3/c1-17(2)9-23(16(24)26-17)8-11-6-21-7-13(22-11)10-3-4-12(18)14(5-10)25-15(19)20/h3-7,15H,8-9H2,1-2H3
InChIKeyYEUMMFWCLBAXQO-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.61
Rot. Bonds5

About 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 155386749) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID155386749
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(Cc2cncc(-c3ccc(F)c(OC(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C17H16F3N3O3/c1-17(2)9-23(16(24)26-17)8-11-6-21-7-13(22-11)10-3-4-12(18)14(5-10)25-15(19)20/h3-7,15H,8-9H2,1-2H3
InChIKeyYEUMMFWCLBAXQO-UHFFFAOYSA-N
XLogP3.61
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 155386749) is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(Cc2cncc(-c3ccc(F)c(OC(F)F)c3)n2)C(=O)O1.
What is the InChIKey of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is YEUMMFWCLBAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-17(2)9-23(16(24)26-17)8-11-6-21-7-13(22-11)10-3-4-12(18)14(5-10)25-15(19)20/h3-7,15H,8-9H2,1-2H3.
What are the key properties of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 367.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).