5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine

C7H7N3O2 — CID 115004217

IUPAC5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2ccco2)n1
InChIInChI=1S/C7H7N3O2/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h1-3H,4H2,(H2,8,10)
InChIKeyREUBJOSQQXQDHC-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.84
Rot. Bonds2

About 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine

5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 115004217) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
PubChem CID115004217
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2ccco2)n1
InChIInChI=1S/C7H7N3O2/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h1-3H,4H2,(H2,8,10)
InChIKeyREUBJOSQQXQDHC-UHFFFAOYSA-N
XLogP0.84
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004180
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115004199
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079625
1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea
CID 71859463
5-(chloromethyl)-3-(furan-2-ylmethyl)-1,2,4-oxadiazole
CID 71364887
5-(furan-2-ylmethyl)oxadiazole
CID 174840733
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
CID 63692412
5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692237
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337738

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine (CID 115004217) is 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(Cc2ccco2)n1.
What is the InChIKey of 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is REUBJOSQQXQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h1-3H,4H2,(H2,8,10).
What are the key properties of 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 165.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115004217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).