N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide

C12H10N4O2 — CID 106406322

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
SMILESO=C(NCc1ncon1)c1cccc2cc[nH]c12
InChIInChI=1S/C12H10N4O2/c17-12(14-6-10-15-7-18-16-10)9-3-1-2-8-4-5-13-11(8)9/h1-5,7,13H,6H2,(H,14,17)
InChIKeyIJYJKSJNKJOHAS-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.48
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide

N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide (PubChem CID 106406322) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
PubChem CID106406322
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
SMILESO=C(NCc1ncon1)c1cccc2cc[nH]c12
InChIInChI=1S/C12H10N4O2/c17-12(14-6-10-15-7-18-16-10)9-3-1-2-8-4-5-13-11(8)9/h1-5,7,13H,6H2,(H,14,17)
InChIKeyIJYJKSJNKJOHAS-UHFFFAOYSA-N
XLogP1.48
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
N-(furan-3-ylmethyl)-1H-indole-7-carboxamide
CID 115659835
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106397156
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-7-carboxamide
CID 103713426
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-[(1-methylpyrrol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103722337
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide (CID 106406322) is N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide is O=C(NCc1ncon1)c1cccc2cc[nH]c12.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide?
The InChIKey is IJYJKSJNKJOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-12(14-6-10-15-7-18-16-10)9-3-1-2-8-4-5-13-11(8)9/h1-5,7,13H,6H2,(H,14,17).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 106406322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).