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

C17H15N3O — CID 43095791

IUPAC5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(C2Cc3ccccc3N2)n1
InChIInChI=1S/C17H15N3O/c1-11-6-2-4-8-13(11)16-19-17(21-20-16)15-10-12-7-3-5-9-14(12)18-15/h2-9,15,18H,10H2,1H3
InChIKeyBLGWGVNIYABCQO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.75
Rot. Bonds2

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

5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 43095791) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID43095791
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(C2Cc3ccccc3N2)n1
InChIInChI=1S/C17H15N3O/c1-11-6-2-4-8-13(11)16-19-17(21-20-16)15-10-12-7-3-5-9-14(12)18-15/h2-9,15,18H,10H2,1H3
InChIKeyBLGWGVNIYABCQO-UHFFFAOYSA-N
XLogP3.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.75
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-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 43095791) is 5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(C2Cc3ccccc3N2)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BLGWGVNIYABCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-6-2-4-8-13(11)16-19-17(21-20-16)15-10-12-7-3-5-9-14(12)18-15/h2-9,15,18H,10H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 277.33 g/mol, XLogP of 3.75, 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-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 43095791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).