3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one

C17H14F3N3O3 — CID 162717326

IUPAC3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1CC=COC1=O
InChIInChI=1S/C17H14F3N3O3/c1-10-14(9-23-5-2-6-25-17(23)24)22-13(8-21-10)11-3-4-12(18)15(7-11)26-16(19)20/h2-4,6-8,16H,5,9H2,1H3
InChIKeyVLOSJGNOFSGNKT-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.66
Rot. Bonds5

About 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one

3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one (PubChem CID 162717326) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one.

Molecular Properties

Compound Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one
PubChem CID162717326
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1CC=COC1=O
InChIInChI=1S/C17H14F3N3O3/c1-10-14(9-23-5-2-6-25-17(23)24)22-13(8-21-10)11-3-4-12(18)15(7-11)26-16(19)20/h2-4,6-8,16H,5,9H2,1H3
InChIKeyVLOSJGNOFSGNKT-UHFFFAOYSA-N
XLogP3.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.66
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]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one?
The IUPAC name of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one (CID 162717326) is 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one.
What is the SMILES notation for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one?
The canonical SMILES for 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one is Cc1ncc(-c2ccc(F)c(OC(F)F)c2)nc1CN1CC=COC1=O.
What is the InChIKey of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one?
The InChIKey is VLOSJGNOFSGNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-10-14(9-23-5-2-6-25-17(23)24)22-13(8-21-10)11-3-4-12(18)15(7-11)26-16(19)20/h2-4,6-8,16H,5,9H2,1H3.
What are the key properties of 3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one?
3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one has a molecular weight of 365.31 g/mol, XLogP of 3.66, 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]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one is sourced from PubChem (CID 162717326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).