5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole

C15H19N3O — CID 63891268

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C15H19N3O/c1-15(2,3)9-13-17-14(19-18-13)11-4-5-12-10(8-11)6-7-16-12/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyVZOPTJLGJTYISE-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.29
Rot. Bonds2

About 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole (PubChem CID 63891268) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
PubChem CID63891268
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C15H19N3O/c1-15(2,3)9-13-17-14(19-18-13)11-4-5-12-10(8-11)6-7-16-12/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyVZOPTJLGJTYISE-UHFFFAOYSA-N
XLogP3.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole (CID 63891268) is 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole is CC(C)(C)Cc1noc(-c2ccc3c(c2)CCN3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The InChIKey is VZOPTJLGJTYISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)9-13-17-14(19-18-13)11-4-5-12-10(8-11)6-7-16-12/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63891268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).