1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea

C9H9N3O2S — CID 3239581

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea
SMILESCc1cc(NC(=O)Nc2cccs2)no1
InChIInChI=1S/C9H9N3O2S/c1-6-5-7(12-14-6)10-9(13)11-8-3-2-4-15-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKeyXUFJPVMONSDBMX-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.69
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea

1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea (PubChem CID 3239581) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea
PubChem CID3239581
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea
SMILESCc1cc(NC(=O)Nc2cccs2)no1
InChIInChI=1S/C9H9N3O2S/c1-6-5-7(12-14-6)10-9(13)11-8-3-2-4-15-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKeyXUFJPVMONSDBMX-UHFFFAOYSA-N
XLogP2.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea (CID 3239581) is 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea is Cc1cc(NC(=O)Nc2cccs2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea?
The InChIKey is XUFJPVMONSDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6-5-7(12-14-6)10-9(13)11-8-3-2-4-15-8/h2-5H,1H3,(H2,10,11,12,13).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea?
1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea has a molecular weight of 223.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 3239581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).