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

C16H14F3N3O3 — CID 155386799

IUPAC3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O3/c17-12-3-2-10(6-14(12)25-15(18)19)13-8-20-7-11(21-13)9-22-4-1-5-24-16(22)23/h2-3,6-8,15H,1,4-5,9H2
InChIKeyXEGOSSDWMDXZTG-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.23
Rot. Bonds5

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

3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one (PubChem CID 155386799) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
PubChem CID155386799
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O3/c17-12-3-2-10(6-14(12)25-15(18)19)13-8-20-7-11(21-13)9-22-4-1-5-24-16(22)23/h2-3,6-8,15H,1,4-5,9H2
InChIKeyXEGOSSDWMDXZTG-UHFFFAOYSA-N
XLogP3.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.23
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]-1,3-oxazinan-2-one?
The IUPAC name of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one (CID 155386799) is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one is O=C1OCCCN1Cc1cncc(-c2ccc(F)c(OC(F)F)c2)n1.
What is the InChIKey of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The InChIKey is XEGOSSDWMDXZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-12-3-2-10(6-14(12)25-15(18)19)13-8-20-7-11(21-13)9-22-4-1-5-24-16(22)23/h2-3,6-8,15H,1,4-5,9H2.
What are the key properties of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one has a molecular weight of 353.30 g/mol, XLogP of 3.23, 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]-1,3-oxazinan-2-one is sourced from PubChem (CID 155386799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).