2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine

C8H13N3O2 — CID 106109161

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nc(C2CC2)no1
InChIInChI=1S/C8H13N3O2/c1-12-6(4-9)8-10-7(11-13-8)5-2-3-5/h5-6H,2-4,9H2,1H3
InChIKeyXQWXAVQAXIOQRB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.59
Rot. Bonds4

About 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine (PubChem CID 106109161) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
PubChem CID106109161
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nc(C2CC2)no1
InChIInChI=1S/C8H13N3O2/c1-12-6(4-9)8-10-7(11-13-8)5-2-3-5/h5-6H,2-4,9H2,1H3
InChIKeyXQWXAVQAXIOQRB-UHFFFAOYSA-N
XLogP0.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109266
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109279
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 81077764
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109342
2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109316
2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106109360
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methoxypropan-1-amine
CID 103157717
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine (CID 106109161) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine is COC(CN)c1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
The InChIKey is XQWXAVQAXIOQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-12-6(4-9)8-10-7(11-13-8)5-2-3-5/h5-6H,2-4,9H2,1H3.
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine has a molecular weight of 183.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine is sourced from PubChem (CID 106109161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).