N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide

C20H18N4O2 — CID 71923906

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]ccc2c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C20H18N4O2/c1-13(19-23-18(26-24-19)11-14-5-3-2-4-6-14)22-20(25)16-7-8-17-15(12-16)9-10-21-17/h2-10,12-13,21H,11H2,1H3,(H,22,25)
InChIKeyPXTWYASBQKZVBJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.63
Rot. Bonds5

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide (PubChem CID 71923906) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
PubChem CID71923906
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]ccc2c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C20H18N4O2/c1-13(19-23-18(26-24-19)11-14-5-3-2-4-6-14)22-20(25)16-7-8-17-15(12-16)9-10-21-17/h2-10,12-13,21H,11H2,1H3,(H,22,25)
InChIKeyPXTWYASBQKZVBJ-UHFFFAOYSA-N
XLogP3.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide (CID 71923906) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide is CC(NC(=O)c1ccc2[nH]ccc2c1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
The InChIKey is PXTWYASBQKZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(19-23-18(26-24-19)11-14-5-3-2-4-6-14)22-20(25)16-7-8-17-15(12-16)9-10-21-17/h2-10,12-13,21H,11H2,1H3,(H,22,25).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 71923906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).