2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C13H18N4O2 — CID 116703194

IUPAC2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCCOC(c1noc(-c2ncccc2N)n1)C(C)C
InChIInChI=1S/C13H18N4O2/c1-4-18-11(8(2)3)12-16-13(19-17-12)10-9(14)6-5-7-15-10/h5-8,11H,4,14H2,1-3H3
InChIKeyABSXOFVJHVFTOB-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.45
Rot. Bonds5

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

2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 116703194) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID116703194
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCCOC(c1noc(-c2ncccc2N)n1)C(C)C
InChIInChI=1S/C13H18N4O2/c1-4-18-11(8(2)3)12-16-13(19-17-12)10-9(14)6-5-7-15-10/h5-8,11H,4,14H2,1-3H3
InChIKeyABSXOFVJHVFTOB-UHFFFAOYSA-N
XLogP2.45
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 116703194) is 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CCOC(c1noc(-c2ncccc2N)n1)C(C)C.
What is the InChIKey of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is ABSXOFVJHVFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-18-11(8(2)3)12-16-13(19-17-12)10-9(14)6-5-7-15-10/h5-8,11H,4,14H2,1-3H3.
What are the key properties of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 262.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 116703194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).