3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide

C14H18FN3O2 — CID 70306275

IUPAC3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide
SMILESCC1(C)OCC(N)=N[C@]1(C)c1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-13(2)14(3,18-11(16)7-20-13)9-6-8(12(17)19)4-5-10(9)15/h4-6H,7H2,1-3H3,(H2,16,18)(H2,17,19)/t14-/m1/s1
InChIKeyYEHXOIAKNYGIMR-CQSZACIVSA-N
MW279.31 g/mol
LogP1.31
Rot. Bonds2

About 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide

3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide (PubChem CID 70306275) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide
PubChem CID70306275
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide
SMILESCC1(C)OCC(N)=N[C@]1(C)c1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-13(2)14(3,18-11(16)7-20-13)9-6-8(12(17)19)4-5-10(9)15/h4-6H,7H2,1-3H3,(H2,16,18)(H2,17,19)/t14-/m1/s1
InChIKeyYEHXOIAKNYGIMR-CQSZACIVSA-N
XLogP1.31
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide?
The IUPAC name of 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide (CID 70306275) is 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide is CC1(C)OCC(N)=N[C@]1(C)c1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide?
The InChIKey is YEHXOIAKNYGIMR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-13(2)14(3,18-11(16)7-20-13)9-6-8(12(17)19)4-5-10(9)15/h4-6H,7H2,1-3H3,(H2,16,18)(H2,17,19)/t14-/m1/s1.
What are the key properties of 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide?
3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 70306275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).