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

C7H11N3O — CID 39870025

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
SMILESCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C7H11N3O/c1-5-9-6(10-11-5)7(8)3-2-4-7/h2-4,8H2,1H3
InChIKeySHJPGPOPDVKKDN-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.72
Rot. Bonds1

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

1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine (PubChem CID 39870025) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
PubChem CID39870025
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
SMILESCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C7H11N3O/c1-5-9-6(10-11-5)7(8)3-2-4-7/h2-4,8H2,1H3
InChIKeySHJPGPOPDVKKDN-UHFFFAOYSA-N
XLogP0.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine (CID 39870025) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine is Cc1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine?
The InChIKey is SHJPGPOPDVKKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-6(10-11-5)7(8)3-2-4-7/h2-4,8H2,1H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine has a molecular weight of 153.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 39870025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).