N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide

C18H19F3N4O3 — CID 67254811

IUPACN-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cocn1)c1ccc(F)c([C@@]2(C)N=C(N)OCC2(F)F)c1
InChIInChI=1S/C18H19F3N4O3/c1-16(2,24-14(26)13-7-27-9-23-13)10-4-5-12(19)11(6-10)17(3)18(20,21)8-28-15(22)25-17/h4-7,9H,8H2,1-3H3,(H2,22,25)(H,24,26)/t17-/m1/s1
InChIKeyZTSLBKOGNDTRAE-QGZVFWFLSA-N
MW396.37 g/mol
LogP2.67
Rot. Bonds4

About N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide

N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 67254811) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID67254811
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC NameN-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cocn1)c1ccc(F)c([C@@]2(C)N=C(N)OCC2(F)F)c1
InChIInChI=1S/C18H19F3N4O3/c1-16(2,24-14(26)13-7-27-9-23-13)10-4-5-12(19)11(6-10)17(3)18(20,21)8-28-15(22)25-17/h4-7,9H,8H2,1-3H3,(H2,22,25)(H,24,26)/t17-/m1/s1
InChIKeyZTSLBKOGNDTRAE-QGZVFWFLSA-N
XLogP2.67
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 53241006
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 67234953
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-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
CID 67252603
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 67232798
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 53241711
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide
CID 53241934
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethoxypyridine-2-carboxamide
CID 71305034
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381
[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid
CID 53241301
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3-(furan-2-yl)prop-2-enamide
CID 67233464
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide (CID 67254811) is N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide is CC(C)(NC(=O)c1cocn1)c1ccc(F)c([C@@]2(C)N=C(N)OCC2(F)F)c1.
What is the InChIKey of N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZTSLBKOGNDTRAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-16(2,24-14(26)13-7-27-9-23-13)10-4-5-12(19)11(6-10)17(3)18(20,21)8-28-15(22)25-17/h4-7,9H,8H2,1-3H3,(H2,22,25)(H,24,26)/t17-/m1/s1.
What are the key properties of N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide?
N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67254811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).