[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine

C8H13N3O — CID 115450843

IUPAC[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
SMILESCCc1noc(C2(CN)CC2)n1
InChIInChI=1S/C8H13N3O/c1-2-6-10-7(12-11-6)8(5-9)3-4-8/h2-5,9H2,1H3
InChIKeyZKHLYBXHNUSZGI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.62
Rot. Bonds3

About [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine

[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine (PubChem CID 115450843) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
PubChem CID115450843
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
SMILESCCc1noc(C2(CN)CC2)n1
InChIInChI=1S/C8H13N3O/c1-2-6-10-7(12-11-6)8(5-9)3-4-8/h2-5,9H2,1H3
InChIKeyZKHLYBXHNUSZGI-UHFFFAOYSA-N
XLogP0.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450928
2-[5-[1-(aminomethyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 115433709
[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 113310598
4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292520
[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442802
[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442761
[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450888
[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 131134173
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 102926644
ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631594

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine (CID 115450843) is [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine is CCc1noc(C2(CN)CC2)n1.
What is the InChIKey of [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
The InChIKey is ZKHLYBXHNUSZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-6-10-7(12-11-6)8(5-9)3-4-8/h2-5,9H2,1H3.
What are the key properties of [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115450843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).