3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one

C18H19F2N3O2 — CID 155386772

IUPAC3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESCc1ncc(-c2cccc(C(C)(F)F)c2)nc1CN1CCCOC1=O
InChIInChI=1S/C18H19F2N3O2/c1-12-16(11-23-7-4-8-25-17(23)24)22-15(10-21-12)13-5-3-6-14(9-13)18(2,19)20/h3,5-6,9-10H,4,7-8,11H2,1-2H3
InChIKeyFUGCHCVBALVZDO-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.91
Rot. Bonds4

About 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one

3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one (PubChem CID 155386772) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
PubChem CID155386772
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESCc1ncc(-c2cccc(C(C)(F)F)c2)nc1CN1CCCOC1=O
InChIInChI=1S/C18H19F2N3O2/c1-12-16(11-23-7-4-8-25-17(23)24)22-15(10-21-12)13-5-3-6-14(9-13)18(2,19)20/h3,5-6,9-10H,4,7-8,11H2,1-2H3
InChIKeyFUGCHCVBALVZDO-UHFFFAOYSA-N
XLogP3.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one (CID 155386772) is 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one is Cc1ncc(-c2cccc(C(C)(F)F)c2)nc1CN1CCCOC1=O.
What is the InChIKey of 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The InChIKey is FUGCHCVBALVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-12-16(11-23-7-4-8-25-17(23)24)22-15(10-21-12)13-5-3-6-14(9-13)18(2,19)20/h3,5-6,9-10H,4,7-8,11H2,1-2H3.
What are the key properties of 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 155386772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).