[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

C11H14N4O2 — CID 81100662

IUPAC[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCCOCc1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C11H14N4O2/c1-2-16-7-10-14-11(17-15-10)9-4-3-8(5-12)6-13-9/h3-4,6H,2,5,7,12H2,1H3
InChIKeyULFBYKXGFMOBDN-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.13
Rot. Bonds5

About [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 81100662) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID81100662
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCCOCc1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C11H14N4O2/c1-2-16-7-10-14-11(17-15-10)9-4-3-8(5-12)6-13-9/h3-4,6H,2,5,7,12H2,1H3
InChIKeyULFBYKXGFMOBDN-UHFFFAOYSA-N
XLogP1.13
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 81100662) is [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is CCOCc1noc(-c2ccc(CN)cn2)n1.
What is the InChIKey of [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is ULFBYKXGFMOBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-16-7-10-14-11(17-15-10)9-4-3-8(5-12)6-13-9/h3-4,6H,2,5,7,12H2,1H3.
What are the key properties of [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 234.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81100662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).