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

C14H19N3O2S — CID 104637417

IUPAC1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccsc1-c1nc(C(C)(N)COC2CCC2)no1
InChIInChI=1S/C14H19N3O2S/c1-9-6-7-20-11(9)12-16-13(17-19-12)14(2,15)8-18-10-4-3-5-10/h6-7,10H,3-5,8,15H2,1-2H3
InChIKeyBOJRTMYPINXMIG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.85
Rot. Bonds5

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

1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104637417) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104637417
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccsc1-c1nc(C(C)(N)COC2CCC2)no1
InChIInChI=1S/C14H19N3O2S/c1-9-6-7-20-11(9)12-16-13(17-19-12)14(2,15)8-18-10-4-3-5-10/h6-7,10H,3-5,8,15H2,1-2H3
InChIKeyBOJRTMYPINXMIG-UHFFFAOYSA-N
XLogP2.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104637417) is 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1ccsc1-c1nc(C(C)(N)COC2CCC2)no1.
What is the InChIKey of 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is BOJRTMYPINXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-6-7-20-11(9)12-16-13(17-19-12)14(2,15)8-18-10-4-3-5-10/h6-7,10H,3-5,8,15H2,1-2H3.
What are the key properties of 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 293.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104637417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).