4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C16H15N7O2 — CID 11404963

IUPAC4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(N)c3)cc21
InChIInChI=1S/C16H15N7O2/c1-2-23-12-7-13(24-10-5-3-4-9(17)6-10)19-8-11(12)20-16(23)14-15(18)22-25-21-14/h3-8H,2,17H2,1H3,(H2,18,22)
InChIKeyJKABLSMROTXCMJ-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.46
Rot. Bonds4

About 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11404963) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11404963
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(N)c3)cc21
InChIInChI=1S/C16H15N7O2/c1-2-23-12-7-13(24-10-5-3-4-9(17)6-10)19-8-11(12)20-16(23)14-15(18)22-25-21-14/h3-8H,2,17H2,1H3,(H2,18,22)
InChIKeyJKABLSMROTXCMJ-UHFFFAOYSA-N
XLogP2.46
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 11404963) is 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(N)c3)cc21.
What is the InChIKey of 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is JKABLSMROTXCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-2-23-12-7-13(24-10-5-3-4-9(17)6-10)19-8-11(12)20-16(23)14-15(18)22-25-21-14/h3-8H,2,17H2,1H3,(H2,18,22).
What are the key properties of 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 337.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-aminophenoxy)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11404963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).