3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide

C14H16F3N3O2 — CID 67608699

IUPAC3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide
SMILESC[C@@]1(c2cccc(C(N)=O)c2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C14H16F3N3O2/c1-12(9-5-3-4-8(6-9)10(18)21)7-22-13(2,11(19)20-12)14(15,16)17/h3-6H,7H2,1-2H3,(H2,18,21)(H2,19,20)/t12-,13+/m0/s1
InChIKeyFCAQMTOFHPRVCB-QWHCGFSZSA-N
MW315.30 g/mol
LogP1.71
Rot. Bonds2

About 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide

3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide (PubChem CID 67608699) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide
PubChem CID67608699
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide
SMILESC[C@@]1(c2cccc(C(N)=O)c2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C14H16F3N3O2/c1-12(9-5-3-4-8(6-9)10(18)21)7-22-13(2,11(19)20-12)14(15,16)17/h3-6H,7H2,1-2H3,(H2,18,21)(H2,19,20)/t12-,13+/m0/s1
InChIKeyFCAQMTOFHPRVCB-QWHCGFSZSA-N
XLogP1.71
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.71
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-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide?
The IUPAC name of 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide (CID 67608699) is 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide.
What is the SMILES notation for 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide?
The canonical SMILES for 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide is C[C@@]1(c2cccc(C(N)=O)c2)CO[C@@](C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide?
The InChIKey is FCAQMTOFHPRVCB-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-12(9-5-3-4-8(6-9)10(18)21)7-22-13(2,11(19)20-12)14(15,16)17/h3-6H,7H2,1-2H3,(H2,18,21)(H2,19,20)/t12-,13+/m0/s1.
What are the key properties of 3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide?
3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide has a molecular weight of 315.30 g/mol, XLogP of 1.71, 2 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-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]benzamide is sourced from PubChem (CID 67608699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).