5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C19H20F3N3O2 — CID 72917589

IUPAC5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1ccc2c(C)c(-c3nc(C4CCOCC4)nn3CC(F)(F)F)oc2c1
InChIInChI=1S/C19H20F3N3O2/c1-11-3-4-14-12(2)16(27-15(14)9-11)18-23-17(13-5-7-26-8-6-13)24-25(18)10-19(20,21)22/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyRZJZMSFMJVSNAU-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.76
Rot. Bonds3

About 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 72917589) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID72917589
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1ccc2c(C)c(-c3nc(C4CCOCC4)nn3CC(F)(F)F)oc2c1
InChIInChI=1S/C19H20F3N3O2/c1-11-3-4-14-12(2)16(27-15(14)9-11)18-23-17(13-5-7-26-8-6-13)24-25(18)10-19(20,21)22/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyRZJZMSFMJVSNAU-UHFFFAOYSA-N
XLogP4.76
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-(2,6-difluoro-3-methylphenyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 72929684
5-(methylsulfanylmethyl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 72853709
2-[5-(2-methyl-1-benzofuran-7-yl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
CID 72902764
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437360
6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942
1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole
CID 72877481
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 70720743
2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
CID 163307443
formic acid;3-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
CID 166598801
3-[(2-methoxyphenyl)methyl]-5-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131933655
5-(methylsulfanylmethyl)-3-(oxan-4-yl)-1-(2-phenylethyl)-1,2,4-triazole
CID 72929314
1-[(4-methylphenyl)methyl]-3-[(3R)-oxolan-3-yl]-5-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136720969

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 72917589) is 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1ccc2c(C)c(-c3nc(C4CCOCC4)nn3CC(F)(F)F)oc2c1.
What is the InChIKey of 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is RZJZMSFMJVSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11-3-4-14-12(2)16(27-15(14)9-11)18-23-17(13-5-7-26-8-6-13)24-25(18)10-19(20,21)22/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 379.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 72917589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).