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

C6H11N3O — CID 61266323

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCc1noc(C(C)(C)N)n1
InChIInChI=1S/C6H11N3O/c1-4-8-5(10-9-4)6(2,3)7/h7H2,1-3H3
InChIKeyAEBOLOPWWMZLBL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.57
Rot. Bonds1

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 61266323) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID61266323
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCc1noc(C(C)(C)N)n1
InChIInChI=1S/C6H11N3O/c1-4-8-5(10-9-4)6(2,3)7/h7H2,1-3H3
InChIKeyAEBOLOPWWMZLBL-UHFFFAOYSA-N
XLogP0.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 43559358
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 54594201
(5-Ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 17604983
2-(5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl)ethan-1-amine
CID 17604997
3-(1-Methylethyl)-1,2,4-oxadiazole-5-methanamine
CID 28063156
5-Ethyl-N-methyl-1,2,4-oxadiazole-3-methanamine, [(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
CID 28063889
1-(5-Methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine hydrochloride
CID 42959052
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43109733
2-(5-Methyl-1,2,4-oxadiazol-3-yl)propan-2-amine hydrochloride
CID 47003073
1-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclopropanamine hydrochloride
CID 56965656
1-(5-Methyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride
CID 68733692
2-(3-Methyl-1,2,4-oxadiazol-5-yl)propan-2-amine hydrochloride
CID 90402302

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 61266323) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine is Cc1noc(C(C)(C)N)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is AEBOLOPWWMZLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-8-5(10-9-4)6(2,3)7/h7H2,1-3H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 141.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 61266323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).