2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C9H15N3O2 — CID 106109316

IUPAC2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(C2(C)CC2)no1
InChIInChI=1S/C9H15N3O2/c1-9(3-4-9)8-11-7(14-12-8)6(5-10)13-2/h6H,3-5,10H2,1-2H3
InChIKeyQJAFHDZQUXMIAX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.77
Rot. Bonds4

About 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106109316) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106109316
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(C2(C)CC2)no1
InChIInChI=1S/C9H15N3O2/c1-9(3-4-9)8-11-7(14-12-8)6(5-10)13-2/h6H,3-5,10H2,1-2H3
InChIKeyQJAFHDZQUXMIAX-UHFFFAOYSA-N
XLogP0.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
(1S,2S)-2-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900251
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 106109161
2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106109360
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397
2-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109266
2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115015955
5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 118264609
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
2-methoxy-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144549
2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109190
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 106109316) is 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is COC(CN)c1nc(C2(C)CC2)no1.
What is the InChIKey of 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is QJAFHDZQUXMIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(3-4-9)8-11-7(14-12-8)6(5-10)13-2/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 197.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106109316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).