3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole

C20H20N6O — CID 156522235

IUPAC3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)N1NNc2cc(-c3nc(-c4cn(C)c5ccccc45)no3)ccc21
InChIInChI=1S/C20H20N6O/c1-12(2)26-18-9-8-13(10-16(18)22-24-26)20-21-19(23-27-20)15-11-25(3)17-7-5-4-6-14(15)17/h4-12,22,24H,1-3H3
InChIKeyFTVUFHNWTVSTPX-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.96
Rot. Bonds3

About 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole

3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole (PubChem CID 156522235) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole
PubChem CID156522235
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)N1NNc2cc(-c3nc(-c4cn(C)c5ccccc45)no3)ccc21
InChIInChI=1S/C20H20N6O/c1-12(2)26-18-9-8-13(10-16(18)22-24-26)20-21-19(23-27-20)15-11-25(3)17-7-5-4-6-14(15)17/h4-12,22,24H,1-3H3
InChIKeyFTVUFHNWTVSTPX-UHFFFAOYSA-N
XLogP3.96
TPSA71.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole (CID 156522235) is 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole is CC(C)N1NNc2cc(-c3nc(-c4cn(C)c5ccccc45)no3)ccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is FTVUFHNWTVSTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12(2)26-18-9-8-13(10-16(18)22-24-26)20-21-19(23-27-20)15-11-25(3)17-7-5-4-6-14(15)17/h4-12,22,24H,1-3H3.
What are the key properties of 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole?
3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 360.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-5-(1-propan-2-yl-2,3-dihydrobenzotriazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 156522235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).