1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

C12H17N3O2S — CID 81125130

IUPAC1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccsc1-c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)9(13)10-14-11(17-15-10)8-7(16-4)5-6-18-8/h5-6,9H,13H2,1-4H3
InChIKeyAFOMONLDZQVGMH-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.85
Rot. Bonds3

About 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 81125130) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID81125130
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccsc1-c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)9(13)10-14-11(17-15-10)8-7(16-4)5-6-18-8/h5-6,9H,13H2,1-4H3
InChIKeyAFOMONLDZQVGMH-UHFFFAOYSA-N
XLogP2.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
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-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 81125130) is 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is COc1ccsc1-c1nc(C(N)C(C)(C)C)no1.
What is the InChIKey of 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is AFOMONLDZQVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(2,3)9(13)10-14-11(17-15-10)8-7(16-4)5-6-18-8/h5-6,9H,13H2,1-4H3.
What are the key properties of 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 81125130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).