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

C14H18N4O3 — CID 116742334

IUPAC6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCCOC1(c2noc(-c3ccc(N)cn3)n2)CCOCC1
InChIInChI=1S/C14H18N4O3/c1-2-20-14(5-7-19-8-6-14)13-17-12(21-18-13)11-4-3-10(15)9-16-11/h3-4,9H,2,5-8,15H2,1H3
InChIKeyIQJFUUOBUFOZQJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.76
Rot. Bonds4

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

6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 116742334) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID116742334
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCCOC1(c2noc(-c3ccc(N)cn3)n2)CCOCC1
InChIInChI=1S/C14H18N4O3/c1-2-20-14(5-7-19-8-6-14)13-17-12(21-18-13)11-4-3-10(15)9-16-11/h3-4,9H,2,5-8,15H2,1H3
InChIKeyIQJFUUOBUFOZQJ-UHFFFAOYSA-N
XLogP1.76
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 116742334) is 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CCOC1(c2noc(-c3ccc(N)cn3)n2)CCOCC1.
What is the InChIKey of 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is IQJFUUOBUFOZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-20-14(5-7-19-8-6-14)13-17-12(21-18-13)11-4-3-10(15)9-16-11/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 290.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 116742334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).