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

C14H14N4O3 — CID 166315125

IUPAC5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccnc4[nH]ccc34)no2)COC1
InChIInChI=1S/C14H14N4O3/c1-19-6-14(7-20-8-14)13-17-12(18-21-13)10-3-5-16-11-9(10)2-4-15-11/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyIEEUZKQCNAHLDZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.53
Rot. Bonds4

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

5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 166315125) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID166315125
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccnc4[nH]ccc34)no2)COC1
InChIInChI=1S/C14H14N4O3/c1-19-6-14(7-20-8-14)13-17-12(18-21-13)10-3-5-16-11-9(10)2-4-15-11/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyIEEUZKQCNAHLDZ-UHFFFAOYSA-N
XLogP1.53
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(methoxymethyl)oxetan-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
5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 58086007
5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 146092125
4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 166283359
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
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
N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 135368330
1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 138995276
3-isoquinolin-1-yl-5-[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]-1,2,4-oxadiazole
CID 167764110
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzonitrile;hydrochloride
CID 162311584
5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120836273

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole (CID 166315125) is 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is COCC1(c2nc(-c3ccnc4[nH]ccc34)no2)COC1.
What is the InChIKey of 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is IEEUZKQCNAHLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-19-6-14(7-20-8-14)13-17-12(18-21-13)10-3-5-16-11-9(10)2-4-15-11/h2-5H,6-8H2,1H3,(H,15,16).
What are the key properties of 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole?
5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 286.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166315125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).