5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole

C21H21N5O — CID 154640077

IUPAC5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(C4CNC4)n3)cc12
InChIInChI=1S/C21H21N5O/c1-3-16-17-9-14(20-25-21(27-26-20)15-10-22-11-15)4-5-18(17)24-19(16)13-6-7-23-12(2)8-13/h4-9,15,22,24H,3,10-11H2,1-2H3
InChIKeySEYXAWQVDSJXQL-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.84
Rot. Bonds4

About 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole

5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole (PubChem CID 154640077) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole
PubChem CID154640077
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(C4CNC4)n3)cc12
InChIInChI=1S/C21H21N5O/c1-3-16-17-9-14(20-25-21(27-26-20)15-10-22-11-15)4-5-18(17)24-19(16)13-6-7-23-12(2)8-13/h4-9,15,22,24H,3,10-11H2,1-2H3
InChIKeySEYXAWQVDSJXQL-UHFFFAOYSA-N
XLogP3.84
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole (CID 154640077) is 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole is CCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(C4CNC4)n3)cc12.
What is the InChIKey of 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole?
The InChIKey is SEYXAWQVDSJXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-3-16-17-9-14(20-25-21(27-26-20)15-10-22-11-15)4-5-18(17)24-19(16)13-6-7-23-12(2)8-13/h4-9,15,22,24H,3,10-11H2,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole has a molecular weight of 359.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 154640077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).