3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide

C13H14F3N3O2 — CID 67608598

IUPAC3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide
SMILESC[C@H]1OC[C@](c2cc(C(N)=O)ccc2F)(C(F)F)N=C1N
InChIInChI=1S/C13H14F3N3O2/c1-6-10(17)19-13(5-21-6,12(15)16)8-4-7(11(18)20)2-3-9(8)14/h2-4,6,12H,5H2,1H3,(H2,17,19)(H2,18,20)/t6-,13+/m1/s1
InChIKeyUWDYTMNORCGOCE-UANNBLPKSA-N
MW301.27 g/mol
LogP1.16
Rot. Bonds3

About 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide

3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide (PubChem CID 67608598) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide
PubChem CID67608598
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide
SMILESC[C@H]1OC[C@](c2cc(C(N)=O)ccc2F)(C(F)F)N=C1N
InChIInChI=1S/C13H14F3N3O2/c1-6-10(17)19-13(5-21-6,12(15)16)8-4-7(11(18)20)2-3-9(8)14/h2-4,6,12H,5H2,1H3,(H2,17,19)(H2,18,20)/t6-,13+/m1/s1
InChIKeyUWDYTMNORCGOCE-UANNBLPKSA-N
XLogP1.16
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
The IUPAC name of 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide (CID 67608598) is 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide is C[C@H]1OC[C@](c2cc(C(N)=O)ccc2F)(C(F)F)N=C1N.
What is the InChIKey of 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
The InChIKey is UWDYTMNORCGOCE-UANNBLPKSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-6-10(17)19-13(5-21-6,12(15)16)8-4-7(11(18)20)2-3-9(8)14/h2-4,6,12H,5H2,1H3,(H2,17,19)(H2,18,20)/t6-,13+/m1/s1.
What are the key properties of 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide has a molecular weight of 301.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,6R)-5-amino-3-(difluoromethyl)-6-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 67608598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).