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

C13H19N3OS — CID 79975398

IUPAC1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCCc1ccsc1-c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C13H19N3OS/c1-5-8-6-7-18-9(8)12-15-11(16-17-12)10(14)13(2,3)4/h6-7,10H,5,14H2,1-4H3
InChIKeyFKMNMWWNNGUEJE-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.41
Rot. Bonds3

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

1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 79975398) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID79975398
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCCc1ccsc1-c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C13H19N3OS/c1-5-8-6-7-18-9(8)12-15-11(16-17-12)10(14)13(2,3)4/h6-7,10H,5,14H2,1-4H3
InChIKeyFKMNMWWNNGUEJE-UHFFFAOYSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633282
1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 81125130
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 79975488
2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326280
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637014
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 62278619
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 80641531
3-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79975059
5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 78953697
1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 104672137
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61323620
N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79975719

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 79975398) is 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is CCc1ccsc1-c1nc(C(N)C(C)(C)C)no1.
What is the InChIKey of 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is FKMNMWWNNGUEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-5-8-6-7-18-9(8)12-15-11(16-17-12)10(14)13(2,3)4/h6-7,10H,5,14H2,1-4H3.
What are the key properties of 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79975398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).