3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C6H11N3O — CID 16768146

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(CCCN)n1
InChIInChI=1S/C6H11N3O/c1-5-8-6(10-9-5)3-2-4-7/h2-4,7H2,1H3
InChIKeyYEKKCMQUYOKDQD-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.27
Rot. Bonds3

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 16768146) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID16768146
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(CCCN)n1
InChIInChI=1S/C6H11N3O/c1-5-8-6(10-9-5)3-2-4-7/h2-4,7H2,1H3
InChIKeyYEKKCMQUYOKDQD-UHFFFAOYSA-N
XLogP0.27
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 16768146) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is Cc1noc(CCCN)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is YEKKCMQUYOKDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-8-6(10-9-5)3-2-4-7/h2-4,7H2,1H3.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 16768146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).