3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine

C15H23N3O2S — CID 116704292

IUPAC3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCCOC(c1noc(-c2c(N)sc(C)c2C)n1)C(C)(C)C
InChIInChI=1S/C15H23N3O2S/c1-7-19-11(15(4,5)6)13-17-14(20-18-13)10-8(2)9(3)21-12(10)16/h11H,7,16H2,1-6H3
InChIKeyWLQBZAUZTSBLKS-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.12
Rot. Bonds4

About 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine

3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (PubChem CID 116704292) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
PubChem CID116704292
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCCOC(c1noc(-c2c(N)sc(C)c2C)n1)C(C)(C)C
InChIInChI=1S/C15H23N3O2S/c1-7-19-11(15(4,5)6)13-17-14(20-18-13)10-8(2)9(3)21-12(10)16/h11H,7,16H2,1-6H3
InChIKeyWLQBZAUZTSBLKS-UHFFFAOYSA-N
XLogP4.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine with MolForge

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Related Compounds

[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116704279
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 116703458
4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116704204
6-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116704372
4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61392883
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826974
2-amino-4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872361
4-chloro-3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116704233
5-chloro-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116704198
1-[4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116704251
4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136751733
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65412664

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (CID 116704292) is 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is CCOC(c1noc(-c2c(N)sc(C)c2C)n1)C(C)(C)C.
What is the InChIKey of 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The InChIKey is WLQBZAUZTSBLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-7-19-11(15(4,5)6)13-17-14(20-18-13)10-8(2)9(3)21-12(10)16/h11H,7,16H2,1-6H3.
What are the key properties of 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine has a molecular weight of 309.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 116704292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).