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

C16H15F3N4O3 — CID 67252603

IUPACN-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC1(c2cc(CNC(=O)c3ccon3)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H15F3N4O3/c1-15(16(18,19)8-25-14(20)22-15)10-6-9(2-3-11(10)17)7-21-13(24)12-4-5-26-23-12/h2-6H,7-8H2,1H3,(H2,20,22)(H,21,24)
InChIKeyFHZGIRZRBXFKOT-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.94
Rot. Bonds4

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

N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 67252603) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID67252603
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC NameN-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC1(c2cc(CNC(=O)c3ccon3)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H15F3N4O3/c1-15(16(18,19)8-25-14(20)22-15)10-6-9(2-3-11(10)17)7-21-13(24)12-4-5-26-23-12/h2-6H,7-8H2,1H3,(H2,20,22)(H,21,24)
InChIKeyFHZGIRZRBXFKOT-UHFFFAOYSA-N
XLogP1.94
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
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
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-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 53241206
N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 62502313
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-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
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
CID 161008430
CID 161008430
(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine
CID 71008966

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 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) is N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide is CC1(c2cc(CNC(=O)c3ccon3)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FHZGIRZRBXFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c1-15(16(18,19)8-25-14(20)22-15)10-6-9(2-3-11(10)17)7-21-13(24)12-4-5-26-23-12/h2-6H,7-8H2,1H3,(H2,20,22)(H,21,24).
What are the key properties of N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide?
N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67252603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).