2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone

C19H18F2N2O2 — CID 58155314

IUPAC2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone
SMILESCC1(c2cccc(CC(=O)c3cc(F)ccc3F)c2)COCC(N)=N1
InChIInChI=1S/C19H18F2N2O2/c1-19(11-25-10-18(22)23-19)13-4-2-3-12(7-13)8-17(24)15-9-14(20)5-6-16(15)21/h2-7,9H,8,10-11H2,1H3,(H2,22,23)
InChIKeyPUDJIBILCNDYBG-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.99
Rot. Bonds4

About 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone

2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone (PubChem CID 58155314) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone
PubChem CID58155314
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone
SMILESCC1(c2cccc(CC(=O)c3cc(F)ccc3F)c2)COCC(N)=N1
InChIInChI=1S/C19H18F2N2O2/c1-19(11-25-10-18(22)23-19)13-4-2-3-12(7-13)8-17(24)15-9-14(20)5-6-16(15)21/h2-7,9H,8,10-11H2,1H3,(H2,22,23)
InChIKeyPUDJIBILCNDYBG-UHFFFAOYSA-N
XLogP2.99
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone (CID 58155314) is 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone is CC1(c2cccc(CC(=O)c3cc(F)ccc3F)c2)COCC(N)=N1.
What is the InChIKey of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone?
The InChIKey is PUDJIBILCNDYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-19(11-25-10-18(22)23-19)13-4-2-3-12(7-13)8-17(24)15-9-14(20)5-6-16(15)21/h2-7,9H,8,10-11H2,1H3,(H2,22,23).
What are the key properties of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone?
2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone has a molecular weight of 344.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 58155314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).