N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine

C23H19F3N6O2 — CID 141306452

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)C=COC3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19F3N6O2/c1-14-12-31(13-27-14)18-8-7-15(11-19(18)33-2)28-22-29-21-20(34-10-9-32(21)30-22)16-5-3-4-6-17(16)23(24,25)26/h3-13,20H,1-2H3,(H,28,30)
InChIKeyFMZLARRZDJNQMD-UHFFFAOYSA-N
MW468.44 g/mol
LogP5.09
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine (PubChem CID 141306452) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
PubChem CID141306452
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)C=COC3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19F3N6O2/c1-14-12-31(13-27-14)18-8-7-15(11-19(18)33-2)28-22-29-21-20(34-10-9-32(21)30-22)16-5-3-4-6-17(16)23(24,25)26/h3-13,20H,1-2H3,(H,28,30)
InChIKeyFMZLARRZDJNQMD-UHFFFAOYSA-N
XLogP5.09
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine with MolForge

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Related Compounds

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67346923
2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;3-methoxy-4-(4-methylimidazol-1-yl)aniline;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 158948155
(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 67607112
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-methyl-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 66856976
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339677
8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159586904
5-(4-fluorocyclohexa-1,3-dien-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazol-3-amine
CID 90346636
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-4-ium-2-amine
CID 71009493

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine (CID 141306452) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine is COc1cc(Nc2nc3n(n2)C=COC3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine?
The InChIKey is FMZLARRZDJNQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-14-12-31(13-27-14)18-8-7-15(11-19(18)33-2)28-22-29-21-20(34-10-9-32(21)30-22)16-5-3-4-6-17(16)23(24,25)26/h3-13,20H,1-2H3,(H,28,30).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine has a molecular weight of 468.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-8H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine is sourced from PubChem (CID 141306452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).