3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine

C10H13N3O2 — CID 106659606

IUPAC3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C10H13N3O2/c1-6-4-5-9(14-6)7(2)11-10-12-8(3)13-15-10/h4-5,7H,1-3H3,(H,11,12,13)
InChIKeyMDKQNFNJZOUZDJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.45
Rot. Bonds3

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

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106659606) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID106659606
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C10H13N3O2/c1-6-4-5-9(14-6)7(2)11-10-12-8(3)13-15-10/h4-5,7H,1-3H3,(H,11,12,13)
InChIKeyMDKQNFNJZOUZDJ-UHFFFAOYSA-N
XLogP2.45
TPSA64.09 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 106659606) is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)c2ccc(C)o2)n1.
What is the InChIKey of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is MDKQNFNJZOUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-4-5-9(14-6)7(2)11-10-12-8(3)13-15-10/h4-5,7H,1-3H3,(H,11,12,13).
What are the key properties of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 207.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).