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

C14H14N4O2 — CID 146092125

IUPAC5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(-c3ccnc4[nH]ccc34)no2)CO1
InChIInChI=1S/C14H14N4O2/c1-8-6-9(7-19-8)14-17-13(18-20-14)11-3-5-16-12-10(11)2-4-15-12/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyGBACCPVYXKQXGD-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.51
Rot. Bonds2

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

5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 146092125) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID146092125
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(-c3ccnc4[nH]ccc34)no2)CO1
InChIInChI=1S/C14H14N4O2/c1-8-6-9(7-19-8)14-17-13(18-20-14)11-3-5-16-12-10(11)2-4-15-12/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyGBACCPVYXKQXGD-UHFFFAOYSA-N
XLogP2.51
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 146092130
4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 166283359
5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 58086007
5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 166315125
5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 154801845
3-methyl-4-[6-(1-methylsulfanylpyrrolidin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 142533131
(3R)-3-methyl-4-[6-(1-methylsulfonylpyrrolidin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 137498333
6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine;methylsulfanylmethane
CID 142518022
ethane;methanethiol;6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
CID 142518116
6,8-dimethyl-4-[(3R)-3-methylmorpholin-4-yl]-8-methylsulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydropyrano[3,2-d]pyrimidine
CID 150060107
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
5-[3-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 157416175

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (CID 146092125) is 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is CC1CC(c2nc(-c3ccnc4[nH]ccc34)no2)CO1.
What is the InChIKey of 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is GBACCPVYXKQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-6-9(7-19-8)14-17-13(18-20-14)11-3-5-16-12-10(11)2-4-15-12/h2-5,8-9H,6-7H2,1H3,(H,15,16).
What are the key properties of 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146092125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).