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

C9H11N3O2 — CID 104788812

IUPAC1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1occc1-c1noc(C(C)N)n1
InChIInChI=1S/C9H11N3O2/c1-5(10)9-11-8(12-14-9)7-3-4-13-6(7)2/h3-5H,10H2,1-2H3
InChIKeyCZRIUJJKIAVSJT-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.66
Rot. Bonds2

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

1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104788812) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104788812
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1occc1-c1noc(C(C)N)n1
InChIInChI=1S/C9H11N3O2/c1-5(10)9-11-8(12-14-9)7-3-4-13-6(7)2/h3-5H,10H2,1-2H3
InChIKeyCZRIUJJKIAVSJT-UHFFFAOYSA-N
XLogP1.66
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334
(1S)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565554
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104788871
(1R)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902205
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113453475
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918169
1,1,1-trifluoro-3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 104790951
ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 104789036
N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 104791003
3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 104790794
(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96782248
(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899860

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104788812) is 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1occc1-c1noc(C(C)N)n1.
What is the InChIKey of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is CZRIUJJKIAVSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5(10)9-11-8(12-14-9)7-3-4-13-6(7)2/h3-5H,10H2,1-2H3.
What are the key properties of 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 193.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104788812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).