5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole

C16H18N4O — CID 58086007

IUPAC5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCC3CCCC3)n2)c2cc[nH]c2n1
InChIInChI=1S/C16H18N4O/c1-2-4-11(3-1)5-6-14-19-16(20-21-14)13-8-10-18-15-12(13)7-9-17-15/h7-11H,1-6H2,(H,17,18)
InChIKeyXCZCVDPBKZQUPX-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.74
Rot. Bonds4

About 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole

5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 58086007) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID58086007
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCC3CCCC3)n2)c2cc[nH]c2n1
InChIInChI=1S/C16H18N4O/c1-2-4-11(3-1)5-6-14-19-16(20-21-14)13-8-10-18-15-12(13)7-9-17-15/h7-11H,1-6H2,(H,17,18)
InChIKeyXCZCVDPBKZQUPX-UHFFFAOYSA-N
XLogP3.74
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (CID 58086007) is 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is c1cc(-c2noc(CCC3CCCC3)n2)c2cc[nH]c2n1.
What is the InChIKey of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is XCZCVDPBKZQUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-4-11(3-1)5-6-14-19-16(20-21-14)13-8-10-18-15-12(13)7-9-17-15/h7-11H,1-6H2,(H,17,18).
What are the key properties of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 282.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 58086007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).