1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C13H19N3O2 — CID 131919991

IUPAC1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCC(C)Cc1noc(CN(C)Cc2ccoc2)n1
InChIInChI=1S/C13H19N3O2/c1-10(2)6-12-14-13(18-15-12)8-16(3)7-11-4-5-17-9-11/h4-5,9-10H,6-8H2,1-3H3
InChIKeyKSGTUOBDKPSOJE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.49
Rot. Bonds6

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

1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 131919991) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID131919991
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCC(C)Cc1noc(CN(C)Cc2ccoc2)n1
InChIInChI=1S/C13H19N3O2/c1-10(2)6-12-14-13(18-15-12)8-16(3)7-11-4-5-17-9-11/h4-5,9-10H,6-8H2,1-3H3
InChIKeyKSGTUOBDKPSOJE-UHFFFAOYSA-N
XLogP2.49
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 131919991) is 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CC(C)Cc1noc(CN(C)Cc2ccoc2)n1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is KSGTUOBDKPSOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)6-12-14-13(18-15-12)8-16(3)7-11-4-5-17-9-11/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 249.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 131919991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).