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

C14H11N5O — CID 29151864

IUPAC3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1nccc1-c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C14H11N5O/c1-19-12(6-8-16-19)14-17-13(18-20-14)10-3-2-4-11-9(10)5-7-15-11/h2-8,15H,1H3
InChIKeyJFRVXXIWWVGHST-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.62
Rot. Bonds2

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

3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 29151864) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID29151864
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1nccc1-c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C14H11N5O/c1-19-12(6-8-16-19)14-17-13(18-20-14)10-3-2-4-11-9(10)5-7-15-11/h2-8,15H,1H3
InChIKeyJFRVXXIWWVGHST-UHFFFAOYSA-N
XLogP2.62
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 94069309
3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole
CID 154752748
3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 154838533
5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 141211740
5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173260
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 62920467
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 166213411
N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570325
3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42571035
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62920645
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 51809149

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 29151864) is 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is Cn1nccc1-c1nc(-c2cccc3[nH]ccc23)no1.
What is the InChIKey of 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is JFRVXXIWWVGHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-19-12(6-8-16-19)14-17-13(18-20-14)10-3-2-4-11-9(10)5-7-15-11/h2-8,15H,1H3.
What are the key properties of 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 265.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 29151864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).