2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone

C19H19F5N4O2 — CID 58304240

IUPAC2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone
SMILESCC1(C)OC(N)=N[C@](C)(c2cc(CC(=O)c3ccn(C(F)F)n3)ccc2F)C1(F)F
InChIInChI=1S/C19H19F5N4O2/c1-17(2)19(23,24)18(3,26-16(25)30-17)11-8-10(4-5-12(11)20)9-14(29)13-6-7-28(27-13)15(21)22/h4-8,15H,9H2,1-3H3,(H2,25,26)/t18-/m1/s1
InChIKeyJPHVOZZFWATCNP-GOSISDBHSA-N
MW430.38 g/mol
LogP3.82
Rot. Bonds5

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

2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone (PubChem CID 58304240) has the molecular formula C19H19F5N4O2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone
PubChem CID58304240
Molecular FormulaC19H19F5N4O2
Molecular Weight430.38 g/mol
Exact Mass430.14
IUPAC Name2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone
SMILESCC1(C)OC(N)=N[C@](C)(c2cc(CC(=O)c3ccn(C(F)F)n3)ccc2F)C1(F)F
InChIInChI=1S/C19H19F5N4O2/c1-17(2)19(23,24)18(3,26-16(25)30-17)11-8-10(4-5-12(11)20)9-14(29)13-6-7-28(27-13)15(21)22/h4-8,15H,9H2,1-3H3,(H2,25,26)/t18-/m1/s1
InChIKeyJPHVOZZFWATCNP-GOSISDBHSA-N
XLogP3.82
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone with MolForge

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Related Compounds

2-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone
CID 158281345
(4R)-4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine;hydrochloride
CID 89419071
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 53241206
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide;formic acid
CID 54577356
[3-(3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl)-4-fluorophenyl]carbamoyl 1-(difluoromethyl)pyrazole-3-carboxylate
CID 140572469
2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(4-methyl-2H-pyrrol-3-yl)ethanone
CID 58304177
2-[3-[(8S)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone
CID 58304283
N-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 53240498
2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 58304265
(4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine
CID 71009071
2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(difluoromethyl)pyrazin-2-yl]ethanone
CID 153200847
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 158152074

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone?
The IUPAC name of 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone (CID 58304240) is 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone is CC1(C)OC(N)=N[C@](C)(c2cc(CC(=O)c3ccn(C(F)F)n3)ccc2F)C1(F)F.
What is the InChIKey of 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone?
The InChIKey is JPHVOZZFWATCNP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19F5N4O2/c1-17(2)19(23,24)18(3,26-16(25)30-17)11-8-10(4-5-12(11)20)9-14(29)13-6-7-28(27-13)15(21)22/h4-8,15H,9H2,1-3H3,(H2,25,26)/t18-/m1/s1.
What are the key properties of 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone?
2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone has a molecular weight of 430.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[1-(difluoromethyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 58304240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).