1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

C10H14N4O2 — CID 66157200

IUPAC1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2cc(C)on2)n1
InChIInChI=1S/C10H14N4O2/c1-3-4-7(11)9-12-10(16-14-9)8-5-6(2)15-13-8/h5,7H,3-4,11H2,1-2H3
InChIKeyHFIYPWUSAGHVHG-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.83
Rot. Bonds4

About 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 66157200) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID66157200
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2cc(C)on2)n1
InChIInChI=1S/C10H14N4O2/c1-3-4-7(11)9-12-10(16-14-9)8-5-6(2)15-13-8/h5,7H,3-4,11H2,1-2H3
InChIKeyHFIYPWUSAGHVHG-UHFFFAOYSA-N
XLogP1.83
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-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 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 66157200) is 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCC(N)c1noc(-c2cc(C)on2)n1.
What is the InChIKey of 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is HFIYPWUSAGHVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-4-7(11)9-12-10(16-14-9)8-5-6(2)15-13-8/h5,7H,3-4,11H2,1-2H3.
What are the key properties of 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 66157200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).