5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one

C20H20N6O3 — CID 156522362

IUPAC5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one
SMILESCC(C)(CO)N1NNc2cc(-c3noc(-c4ccc5c(c4)CC(=O)N5)n3)ccc21
InChIInChI=1S/C20H20N6O3/c1-20(2,10-27)26-16-6-4-11(8-15(16)23-25-26)18-22-19(29-24-18)12-3-5-14-13(7-12)9-17(28)21-14/h3-8,23,25,27H,9-10H2,1-2H3,(H,21,28)
InChIKeyPFAMXBVMPWURIV-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.32
Rot. Bonds4

About 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one

5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one (PubChem CID 156522362) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one
PubChem CID156522362
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one
SMILESCC(C)(CO)N1NNc2cc(-c3noc(-c4ccc5c(c4)CC(=O)N5)n3)ccc21
InChIInChI=1S/C20H20N6O3/c1-20(2,10-27)26-16-6-4-11(8-15(16)23-25-26)18-22-19(29-24-18)12-3-5-14-13(7-12)9-17(28)21-14/h3-8,23,25,27H,9-10H2,1-2H3,(H,21,28)
InChIKeyPFAMXBVMPWURIV-UHFFFAOYSA-N
XLogP2.32
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one (CID 156522362) is 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one is CC(C)(CO)N1NNc2cc(-c3noc(-c4ccc5c(c4)CC(=O)N5)n3)ccc21.
What is the InChIKey of 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is PFAMXBVMPWURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-20(2,10-27)26-16-6-4-11(8-15(16)23-25-26)18-22-19(29-24-18)12-3-5-14-13(7-12)9-17(28)21-14/h3-8,23,25,27H,9-10H2,1-2H3,(H,21,28).
What are the key properties of 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one?
5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 392.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrobenzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 156522362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).