1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

C10H13N3O2 — CID 62337738

IUPAC1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(CCc2ccco2)n1
InChIInChI=1S/C10H13N3O2/c1-11-7-9-12-10(15-13-9)5-4-8-3-2-6-14-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyFDYXDBDPBXTWNK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.17
Rot. Bonds5

About 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (PubChem CID 62337738) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
PubChem CID62337738
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(CCc2ccco2)n1
InChIInChI=1S/C10H13N3O2/c1-11-7-9-12-10(15-13-9)5-4-8-3-2-6-14-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyFDYXDBDPBXTWNK-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647862
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
CID 61024158
5-(chloromethyl)-3-(furan-2-ylmethyl)-1,2,4-oxadiazole
CID 71364887
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115004199
2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324061
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353316
4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 107911508
1-[5-[2-(furan-2-yl)ethyl]-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139756
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079625
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 51075896

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (CID 62337738) is 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is CNCc1noc(CCc2ccco2)n1.
What is the InChIKey of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The InChIKey is FDYXDBDPBXTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-11-7-9-12-10(15-13-9)5-4-8-3-2-6-14-8/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine has a molecular weight of 207.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62337738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).