3-thiophen-3-yl-1,2-oxazol-5-amine

C7H6N2OS — CID 28603423

IUPAC3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccsc2)no1
InChIInChI=1S/C7H6N2OS/c8-7-3-6(9-10-7)5-1-2-11-4-5/h1-4H,8H2
InChIKeyYGJKWZMVXNZAOT-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.99
Rot. Bonds1

About 3-thiophen-3-yl-1,2-oxazol-5-amine

3-thiophen-3-yl-1,2-oxazol-5-amine (PubChem CID 28603423) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-thiophen-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-thiophen-3-yl-1,2-oxazol-5-amine
PubChem CID28603423
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccsc2)no1
InChIInChI=1S/C7H6N2OS/c8-7-3-6(9-10-7)5-1-2-11-4-5/h1-4H,8H2
InChIKeyYGJKWZMVXNZAOT-UHFFFAOYSA-N
XLogP1.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-thiophen-3-yl-1,2-oxazol-5-amine (CID 28603423) is 3-thiophen-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-thiophen-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-thiophen-3-yl-1,2-oxazol-5-amine is Nc1cc(-c2ccsc2)no1.
What is the InChIKey of 3-thiophen-3-yl-1,2-oxazol-5-amine?
The InChIKey is YGJKWZMVXNZAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-7-3-6(9-10-7)5-1-2-11-4-5/h1-4H,8H2.
What are the key properties of 3-thiophen-3-yl-1,2-oxazol-5-amine?
3-thiophen-3-yl-1,2-oxazol-5-amine has a molecular weight of 166.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 28603423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).