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

C13H12N4O2 — CID 16836198

IUPACN-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCNC(=O)Cn1c(-c2nnco2)cc2ccccc21
InChIInChI=1S/C13H12N4O2/c1-14-12(18)7-17-10-5-3-2-4-9(10)6-11(17)13-16-15-8-19-13/h2-6,8H,7H2,1H3,(H,14,18)
InChIKeyNMAJGTGJCCQIRH-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.44
Rot. Bonds3

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

N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 16836198) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID16836198
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCNC(=O)Cn1c(-c2nnco2)cc2ccccc21
InChIInChI=1S/C13H12N4O2/c1-14-12(18)7-17-10-5-3-2-4-9(10)6-11(17)13-16-15-8-19-13/h2-6,8H,7H2,1H3,(H,14,18)
InChIKeyNMAJGTGJCCQIRH-UHFFFAOYSA-N
XLogP1.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 16836198) is N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is CNC(=O)Cn1c(-c2nnco2)cc2ccccc21.
What is the InChIKey of N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is NMAJGTGJCCQIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-14-12(18)7-17-10-5-3-2-4-9(10)6-11(17)13-16-15-8-19-13/h2-6,8H,7H2,1H3,(H,14,18).
What are the key properties of N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 256.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 16836198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).