1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C15H14FN3OS — CID 120859230

IUPAC1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1c(-c2nc(C3(N)CCC3)no2)sc2ccc(F)cc12
InChIInChI=1S/C15H14FN3OS/c1-8-10-7-9(16)3-4-11(10)21-12(8)13-18-14(19-20-13)15(17)5-2-6-15/h3-4,7H,2,5-6,17H2,1H3
InChIKeyMSGGMJIAZXOSJD-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.74
Rot. Bonds2

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

1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859230) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859230
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1c(-c2nc(C3(N)CCC3)no2)sc2ccc(F)cc12
InChIInChI=1S/C15H14FN3OS/c1-8-10-7-9(16)3-4-11(10)21-12(8)13-18-14(19-20-13)15(17)5-2-6-15/h3-4,7H,2,5-6,17H2,1H3
InChIKeyMSGGMJIAZXOSJD-UHFFFAOYSA-N
XLogP3.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-methoxy-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863739
1-[5-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864790
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351704
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351714
1-[5-(3-methoxy-5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857357
1-[5-[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862731
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859978

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859230) is 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1c(-c2nc(C3(N)CCC3)no2)sc2ccc(F)cc12.
What is the InChIKey of 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is MSGGMJIAZXOSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-8-10-7-9(16)3-4-11(10)21-12(8)13-18-14(19-20-13)15(17)5-2-6-15/h3-4,7H,2,5-6,17H2,1H3.
What are the key properties of 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 303.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).