3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine

C13H12N2OS2 — CID 62501896

IUPAC3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCCc1ccc(-c2noc(N)c2-c2cccs2)s1
InChIInChI=1S/C13H12N2OS2/c1-2-8-5-6-10(18-8)12-11(13(14)16-15-12)9-4-3-7-17-9/h3-7H,2,14H2,1H3
InChIKeyIHGLBSSPLAHOFZ-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.28
Rot. Bonds3

About 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine

3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62501896) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62501896
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCCc1ccc(-c2noc(N)c2-c2cccs2)s1
InChIInChI=1S/C13H12N2OS2/c1-2-8-5-6-10(18-8)12-11(13(14)16-15-12)9-4-3-7-17-9/h3-7H,2,14H2,1H3
InChIKeyIHGLBSSPLAHOFZ-UHFFFAOYSA-N
XLogP4.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62501896) is 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is CCc1ccc(-c2noc(N)c2-c2cccs2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is IHGLBSSPLAHOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-2-8-5-6-10(18-8)12-11(13(14)16-15-12)9-4-3-7-17-9/h3-7H,2,14H2,1H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 276.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62501896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).