5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine

C8H8N2OS — CID 66199204

IUPAC5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccsc1-c1cc(N)no1
InChIInChI=1S/C8H8N2OS/c1-5-2-3-12-8(5)6-4-7(9)10-11-6/h2-4H,1H3,(H2,9,10)
InChIKeyQGIFOPRYQFXQAZ-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.29
Rot. Bonds1

About 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine

5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66199204) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66199204
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccsc1-c1cc(N)no1
InChIInChI=1S/C8H8N2OS/c1-5-2-3-12-8(5)6-4-7(9)10-11-6/h2-4H,1H3,(H2,9,10)
InChIKeyQGIFOPRYQFXQAZ-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66199204) is 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine is Cc1ccsc1-c1cc(N)no1.
What is the InChIKey of 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is QGIFOPRYQFXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-2-3-12-8(5)6-4-7(9)10-11-6/h2-4H,1H3,(H2,9,10).
What are the key properties of 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 180.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).