2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C24H19F3N6O — CID 136627206

IUPAC2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccccc4C(F)(F)F)cc3c2)cn1
InChIInChI=1S/C24H19F3N6O/c1-14-12-32(13-28-14)16-6-7-19-15(10-16)11-20(29-19)22-30-23-21(34-9-8-33(23)31-22)17-4-2-3-5-18(17)24(25,26)27/h2-7,10-13,21,29H,8-9H2,1H3
InChIKeyQNTRQZYLJCEOQB-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.06
Rot. Bonds3

About 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 136627206) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID136627206
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccccc4C(F)(F)F)cc3c2)cn1
InChIInChI=1S/C24H19F3N6O/c1-14-12-32(13-28-14)16-6-7-19-15(10-16)11-20(29-19)22-30-23-21(34-9-8-33(23)31-22)17-4-2-3-5-18(17)24(25,26)27/h2-7,10-13,21,29H,8-9H2,1H3
InChIKeyQNTRQZYLJCEOQB-UHFFFAOYSA-N
XLogP5.06
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 136627206) is 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is Cc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccccc4C(F)(F)F)cc3c2)cn1.
What is the InChIKey of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is QNTRQZYLJCEOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-14-12-32(13-28-14)16-6-7-19-15(10-16)11-20(29-19)22-30-23-21(34-9-8-33(23)31-22)17-4-2-3-5-18(17)24(25,26)27/h2-7,10-13,21,29H,8-9H2,1H3.
What are the key properties of 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 464.45 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 136627206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).