(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C21H19N5O2 — CID 121019723

IUPAC(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c2ccccc21
InChIInChI=1S/C21H19N5O2/c1-25-17-10-6-5-9-16(17)18(23-25)21(27)26-12-11-15(13-26)19-22-20(28-24-19)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3
InChIKeyFCDDACBXLTXNIK-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.25
Rot. Bonds3

About (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 121019723) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID121019723
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c2ccccc21
InChIInChI=1S/C21H19N5O2/c1-25-17-10-6-5-9-16(17)18(23-25)21(27)26-12-11-15(13-26)19-22-20(28-24-19)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3
InChIKeyFCDDACBXLTXNIK-UHFFFAOYSA-N
XLogP3.25
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 53140931
[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905600

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 121019723) is (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cn1nc(C(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c2ccccc21.
What is the InChIKey of (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FCDDACBXLTXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25-17-10-6-5-9-16(17)18(23-25)21(27)26-12-11-15(13-26)19-22-20(28-24-19)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3.
What are the key properties of (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 373.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121019723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).