3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C10H13N3O2 — CID 115079621

IUPAC3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(Cc2ccco2)n1
InChIInChI=1S/C10H13N3O2/c11-5-1-4-9-12-10(15-13-9)7-8-3-2-6-14-8/h2-3,6H,1,4-5,7,11H2
InChIKeyWUNRSSBFCYOXNR-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.14
Rot. Bonds5

About 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 115079621) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID115079621
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(Cc2ccco2)n1
InChIInChI=1S/C10H13N3O2/c11-5-1-4-9-12-10(15-13-9)7-8-3-2-6-14-8/h2-3,6H,1,4-5,7,11H2
InChIKeyWUNRSSBFCYOXNR-UHFFFAOYSA-N
XLogP1.14
TPSA78.08 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079625
5-(chloromethyl)-3-(furan-2-ylmethyl)-1,2,4-oxadiazole
CID 71364887
1-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004180
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337738
3-[5-(1,2-benzoxazol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62668332
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767692
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647862
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 115079621) is 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is NCCCc1noc(Cc2ccco2)n1.
What is the InChIKey of 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is WUNRSSBFCYOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-5-1-4-9-12-10(15-13-9)7-8-3-2-6-14-8/h2-3,6H,1,4-5,7,11H2.
What are the key properties of 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 207.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 115079621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).