2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide

C20H18N4O2 — CID 53032228

IUPAC2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)c1
InChIInChI=1S/C20H18N4O2/c1-13-4-3-5-17(10-13)21-19(25)12-24-9-8-15-6-7-16(11-18(15)24)20-23-22-14(2)26-20/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyCZQCQLIEILLUBR-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.95
Rot. Bonds4

About 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide

2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53032228) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID53032228
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)c1
InChIInChI=1S/C20H18N4O2/c1-13-4-3-5-17(10-13)21-19(25)12-24-9-8-15-6-7-16(11-18(15)24)20-23-22-14(2)26-20/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyCZQCQLIEILLUBR-UHFFFAOYSA-N
XLogP3.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide (CID 53032228) is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)c1.
What is the InChIKey of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is CZQCQLIEILLUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-4-3-5-17(10-13)21-19(25)12-24-9-8-15-6-7-16(11-18(15)24)20-23-22-14(2)26-20/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide?
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53032228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).