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

C10H13N3O2 — CID 61325210

IUPAC1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2ccc(C)o2)n1
InChIInChI=1S/C10H13N3O2/c1-3-7(11)9-12-10(15-13-9)8-5-4-6(2)14-8/h4-5,7H,3,11H2,1-2H3
InChIKeyXWIFNTPRPSCOHY-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.05
Rot. Bonds3

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

1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 61325210) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID61325210
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2ccc(C)o2)n1
InChIInChI=1S/C10H13N3O2/c1-3-7(11)9-12-10(15-13-9)8-5-4-6(2)14-8/h4-5,7H,3,11H2,1-2H3
InChIKeyXWIFNTPRPSCOHY-UHFFFAOYSA-N
XLogP2.05
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 61325210) is 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(-c2ccc(C)o2)n1.
What is the InChIKey of 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XWIFNTPRPSCOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-7(11)9-12-10(15-13-9)8-5-4-6(2)14-8/h4-5,7H,3,11H2,1-2H3.
What are the key properties of 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 207.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 61325210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).