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

C13H18N4O2 — CID 116703289

IUPAC4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCCOC(c1noc(-c2ccncc2N)n1)C(C)C
InChIInChI=1S/C13H18N4O2/c1-4-18-11(8(2)3)12-16-13(19-17-12)9-5-6-15-7-10(9)14/h5-8,11H,4,14H2,1-3H3
InChIKeyRDKJQWGJSYKKNJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.45
Rot. Bonds5

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

4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 116703289) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID116703289
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCCOC(c1noc(-c2ccncc2N)n1)C(C)C
InChIInChI=1S/C13H18N4O2/c1-4-18-11(8(2)3)12-16-13(19-17-12)9-5-6-15-7-10(9)14/h5-8,11H,4,14H2,1-3H3
InChIKeyRDKJQWGJSYKKNJ-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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Related Compounds

4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 79613889
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 116703169
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116703194
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 116703046
2-chloro-4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116703123
5-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methoxyaniline
CID 116703236
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136790025
[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 116703053
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 136965242
1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 64955720
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116703234
[3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116703177

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 116703289) is 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CCOC(c1noc(-c2ccncc2N)n1)C(C)C.
What is the InChIKey of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is RDKJQWGJSYKKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-18-11(8(2)3)12-16-13(19-17-12)9-5-6-15-7-10(9)14/h5-8,11H,4,14H2,1-3H3.
What are the key properties of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
4-[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 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 116703289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).