2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole

C22H17N3O — CID 18569312

IUPAC2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3n2Cc2cccc3ccccc23)o1
InChIInChI=1S/C22H17N3O/c1-15-23-24-22(26-15)21-13-17-8-3-5-12-20(17)25(21)14-18-10-6-9-16-7-2-4-11-19(16)18/h2-13H,14H2,1H3
InChIKeyIHRNVFDNFUECPJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.20
Rot. Bonds3

About 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole

2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole (PubChem CID 18569312) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole
PubChem CID18569312
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3n2Cc2cccc3ccccc23)o1
InChIInChI=1S/C22H17N3O/c1-15-23-24-22(26-15)21-13-17-8-3-5-12-20(17)25(21)14-18-10-6-9-16-7-2-4-11-19(16)18/h2-13H,14H2,1H3
InChIKeyIHRNVFDNFUECPJ-UHFFFAOYSA-N
XLogP5.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole (CID 18569312) is 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole is Cc1nnc(-c2cc3ccccc3n2Cc2cccc3ccccc23)o1.
What is the InChIKey of 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole?
The InChIKey is IHRNVFDNFUECPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-23-24-22(26-15)21-13-17-8-3-5-12-20(17)25(21)14-18-10-6-9-16-7-2-4-11-19(16)18/h2-13H,14H2,1H3.
What are the key properties of 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(naphthalen-1-ylmethyl)indol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 18569312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).