1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C11H13N3OS — CID 120860894

IUPAC1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCC3)no2)s1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(16-7)9-13-10(14-15-9)11(12)5-2-6-11/h3-4H,2,5-6,12H2,1H3
InChIKeyOCYUDXSVQXXXCQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.44
Rot. Bonds2

About 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120860894) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120860894
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCC3)no2)s1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(16-7)9-13-10(14-15-9)11(12)5-2-6-11/h3-4H,2,5-6,12H2,1H3
InChIKeyOCYUDXSVQXXXCQ-UHFFFAOYSA-N
XLogP2.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
CID 120863952
1-[5-(5-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859392
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526
1-[5-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864790
N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 120852105
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120863210
1-[5-(2-pyridin-4-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862345
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351704
1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858819
1-[5-(5-methyl-4-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855214

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120860894) is 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1ccc(-c2nc(C3(N)CCC3)no2)s1.
What is the InChIKey of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is OCYUDXSVQXXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-8(16-7)9-13-10(14-15-9)11(12)5-2-6-11/h3-4H,2,5-6,12H2,1H3.
What are the key properties of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120860894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).