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

C9H11N3O2 — CID 115078718

IUPAC1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNC(C)c1noc(-c2ccco2)n1
InChIInChI=1S/C9H11N3O2/c1-6(10-2)8-11-9(14-12-8)7-4-3-5-13-7/h3-6,10H,1-2H3
InChIKeyMBJSODRZIBXAEA-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.61
Rot. Bonds3

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

1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 115078718) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID115078718
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNC(C)c1noc(-c2ccco2)n1
InChIInChI=1S/C9H11N3O2/c1-6(10-2)8-11-9(14-12-8)7-4-3-5-13-7/h3-6,10H,1-2H3
InChIKeyMBJSODRZIBXAEA-UHFFFAOYSA-N
XLogP1.61
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94069279
1-[4-(furan-2-yl)phenyl]-N-methylethanamine
CID 63949148
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 50973647
N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine
CID 4901004
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 95191455
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 50755881
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
1-(3,4-dimethylphenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 138006353
3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 30746797
2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684294
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 104847409

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 115078718) is 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNC(C)c1noc(-c2ccco2)n1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is MBJSODRZIBXAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(10-2)8-11-9(14-12-8)7-4-3-5-13-7/h3-6,10H,1-2H3.
What are the key properties of 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 193.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 115078718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).