3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine

C14H17N3O2 — CID 104797724

IUPAC3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccoc1-c1noc(C2C3CCC(C3)C2N)n1
InChIInChI=1S/C14H17N3O2/c1-7-4-5-18-12(7)13-16-14(19-17-13)10-8-2-3-9(6-8)11(10)15/h4-5,8-11H,2-3,6,15H2,1H3
InChIKeyCOWAJLMDDBJHHT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds2

About 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine

3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 104797724) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
PubChem CID104797724
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccoc1-c1noc(C2C3CCC(C3)C2N)n1
InChIInChI=1S/C14H17N3O2/c1-7-4-5-18-12(7)13-16-14(19-17-13)10-8-2-3-9(6-8)11(10)15/h4-5,8-11H,2-3,6,15H2,1H3
InChIKeyCOWAJLMDDBJHHT-UHFFFAOYSA-N
XLogP2.48
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine (CID 104797724) is 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine is Cc1ccoc1-c1noc(C2C3CCC(C3)C2N)n1.
What is the InChIKey of 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is COWAJLMDDBJHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-7-4-5-18-12(7)13-16-14(19-17-13)10-8-2-3-9(6-8)11(10)15/h4-5,8-11H,2-3,6,15H2,1H3.
What are the key properties of 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 104797724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).