3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide

C12H14FN3O2 — CID 67608686

IUPAC3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide
SMILESNC(=O)c1cccc(C2(CF)COCC(N)=N2)c1
InChIInChI=1S/C12H14FN3O2/c13-6-12(7-18-5-10(14)16-12)9-3-1-2-8(4-9)11(15)17/h1-4H,5-7H2,(H2,14,16)(H2,15,17)
InChIKeyKGVGIWDGBONJIU-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.34
Rot. Bonds3

About 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide

3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide (PubChem CID 67608686) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide
PubChem CID67608686
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide
SMILESNC(=O)c1cccc(C2(CF)COCC(N)=N2)c1
InChIInChI=1S/C12H14FN3O2/c13-6-12(7-18-5-10(14)16-12)9-3-1-2-8(4-9)11(15)17/h1-4H,5-7H2,(H2,14,16)(H2,15,17)
InChIKeyKGVGIWDGBONJIU-UHFFFAOYSA-N
XLogP0.34
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
The IUPAC name of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide (CID 67608686) is 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide.
What is the SMILES notation for 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
The canonical SMILES for 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide is NC(=O)c1cccc(C2(CF)COCC(N)=N2)c1.
What is the InChIKey of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
The InChIKey is KGVGIWDGBONJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-6-12(7-18-5-10(14)16-12)9-3-1-2-8(4-9)11(15)17/h1-4H,5-7H2,(H2,14,16)(H2,15,17).
What are the key properties of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide has a molecular weight of 251.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]benzamide is sourced from PubChem (CID 67608686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).