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

C14H20N4O2 — CID 116703053

IUPAC[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCCOC(c1noc(-c2ccc(CN)cn2)n1)C(C)C
InChIInChI=1S/C14H20N4O2/c1-4-19-12(9(2)3)13-17-14(20-18-13)11-6-5-10(7-15)8-16-11/h5-6,8-9,12H,4,7,15H2,1-3H3
InChIKeyVOYSEURMQIKOEP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.32
Rot. Bonds6

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

[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 116703053) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID116703053
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCCOC(c1noc(-c2ccc(CN)cn2)n1)C(C)C
InChIInChI=1S/C14H20N4O2/c1-4-19-12(9(2)3)13-17-14(20-18-13)11-6-5-10(7-15)8-16-11/h5-6,8-9,12H,4,7,15H2,1-3H3
InChIKeyVOYSEURMQIKOEP-UHFFFAOYSA-N
XLogP2.32
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116703177
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116703234
[6-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81100662
[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
CID 81098785
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116703127
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116703194
4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116703289
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 116703046
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 116703169
[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81098491
[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81099704
4-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116703230

Frequently Asked Questions

What is the IUPAC name of [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 116703053) is [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is CCOC(c1noc(-c2ccc(CN)cn2)n1)C(C)C.
What is the InChIKey of [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is VOYSEURMQIKOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-19-12(9(2)3)13-17-14(20-18-13)11-6-5-10(7-15)8-16-11/h5-6,8-9,12H,4,7,15H2,1-3H3.
What are the key properties of [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 116703053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).