3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

C11H8N4O2 — CID 42568930

IUPAC3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C11H8N4O2/c12-9(16)11-14-10(15-17-11)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H,(H2,12,16)
InChIKeyVMZWKXAHKNRHDP-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.32
Rot. Bonds2

About 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42568930) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42568930
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C11H8N4O2/c12-9(16)11-14-10(15-17-11)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H,(H2,12,16)
InChIKeyVMZWKXAHKNRHDP-UHFFFAOYSA-N
XLogP1.32
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (CID 42568930) is 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VMZWKXAHKNRHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-9(16)11-14-10(15-17-11)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H,(H2,12,16).
What are the key properties of 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 228.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42568930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).