3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

C13H19N5O2 — CID 116704498

IUPAC3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C13H19N5O2/c1-4-19-13(2,3)12-17-11(20-18-12)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyWNLIGXFOUCMXHD-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.45
Rot. Bonds4

About 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 116704498) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID116704498
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C13H19N5O2/c1-4-19-13(2,3)12-17-11(20-18-12)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyWNLIGXFOUCMXHD-UHFFFAOYSA-N
XLogP1.45
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (CID 116704498) is 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is CCOC(C)(C)c1noc(C2Cc3nc[nH]c3CN2)n1.
What is the InChIKey of 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is WNLIGXFOUCMXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-19-13(2,3)12-17-11(20-18-12)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 277.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116704498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).