3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C17H13N5O2 — CID 135653937

IUPAC3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C17H13N5O2/c23-16(20-9-11-4-3-7-18-8-11)17-21-15(22-24-17)13-10-19-14-6-2-1-5-12(13)14/h1-8,10,19H,9H2,(H,20,23)
InChIKeyIDEBODOWSMDUCW-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.54
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 135653937) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID135653937
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C17H13N5O2/c23-16(20-9-11-4-3-7-18-8-11)17-21-15(22-24-17)13-10-19-14-6-2-1-5-12(13)14/h1-8,10,19H,9H2,(H,20,23)
InChIKeyIDEBODOWSMDUCW-UHFFFAOYSA-N
XLogP2.54
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide
CID 135636045
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448
3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42571035
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
3-[2-(azepan-1-yl)-4-pyridinyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175290
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
5-(1H-indol-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 136740783
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42570504
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 135653937) is 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1cccnc1)c1nc(-c2c[nH]c3ccccc23)no1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is IDEBODOWSMDUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-16(20-9-11-4-3-7-18-8-11)17-21-15(22-24-17)13-10-19-14-6-2-1-5-12(13)14/h1-8,10,19H,9H2,(H,20,23).
What are the key properties of 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 135653937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).