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

C19H25FN2O2 — CID 58155225

IUPAC2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone
SMILESCC1(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)COC3(C)C)c2)CC1
InChIInChI=1S/C19H25FN2O2/c1-17(2)19(4,22-16(21)11-24-17)13-9-12(5-6-14(13)20)10-15(23)18(3)7-8-18/h5-6,9H,7-8,10-11H2,1-4H3,(H2,21,22)/t19-/m1/s1
InChIKeyRGHKOJTVZXMMQD-LJQANCHMSA-N
MW332.42 g/mol
LogP3.12
Rot. Bonds4

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

2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone (PubChem CID 58155225) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone
PubChem CID58155225
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone
SMILESCC1(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)COC3(C)C)c2)CC1
InChIInChI=1S/C19H25FN2O2/c1-17(2)19(4,22-16(21)11-24-17)13-9-12(5-6-14(13)20)10-15(23)18(3)7-8-18/h5-6,9H,7-8,10-11H2,1-4H3,(H2,21,22)/t19-/m1/s1
InChIKeyRGHKOJTVZXMMQD-LJQANCHMSA-N
XLogP3.12
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone?
The IUPAC name of 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone (CID 58155225) is 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone.
What is the SMILES notation for 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone?
The canonical SMILES for 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone is CC1(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)COC3(C)C)c2)CC1.
What is the InChIKey of 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone?
The InChIKey is RGHKOJTVZXMMQD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-17(2)19(4,22-16(21)11-24-17)13-9-12(5-6-14(13)20)10-15(23)18(3)7-8-18/h5-6,9H,7-8,10-11H2,1-4H3,(H2,21,22)/t19-/m1/s1.
What are the key properties of 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone?
2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone has a molecular weight of 332.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(1-methylcyclopropyl)ethanone is sourced from PubChem (CID 58155225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).