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

C16H20N4O — CID 123939342

IUPAC5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole
SMILESc1cnc2[nH]cc(C3=NC(CCC4CCCC4)ON3)c2c1
InChIInChI=1S/C16H20N4O/c1-2-5-11(4-1)7-8-14-19-16(20-21-14)13-10-18-15-12(13)6-3-9-17-15/h3,6,9-11,14H,1-2,4-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyILPFLSVRRDFFDB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.14
Rot. Bonds4

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

5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 123939342) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID123939342
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole
SMILESc1cnc2[nH]cc(C3=NC(CCC4CCCC4)ON3)c2c1
InChIInChI=1S/C16H20N4O/c1-2-5-11(4-1)7-8-14-19-16(20-21-14)13-10-18-15-12(13)6-3-9-17-15/h3,6,9-11,14H,1-2,4-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyILPFLSVRRDFFDB-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 58087761
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
CID 163936836
(E)-N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 42636362
3-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168995048
3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 174572842
N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 66410814
N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine
CID 171510299
4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164771
[(2S,3S)-3-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-d]pyrimidin-4-yl]amino]-2-bicyclo[2.2.2]octanyl]methanol
CID 145402033

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole (CID 123939342) is 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole is c1cnc2[nH]cc(C3=NC(CCC4CCCC4)ON3)c2c1.
What is the InChIKey of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is ILPFLSVRRDFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-5-11(4-1)7-8-14-19-16(20-21-14)13-10-18-15-12(13)6-3-9-17-15/h3,6,9-11,14H,1-2,4-5,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole?
5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 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-3-yl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 123939342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).