1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea

C12H15N5O2S — CID 138011695

About 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea

1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea (PubChem CID 138011695) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea
• PubChem CID: 138011695
• Molecular Formula: C12H15N5O2S
• Molecular Weight: 293.35 g/mol
• Exact Mass: 293.09
• IUPAC Name: 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea
• SMILES: Cc1nnsc1CNC(=O)Nc1c(C)noc1C1CC1
• InChI: InChI=1S/C12H15N5O2S/c1-6-9(20-17-15-6)5-13-12(18)14-10-7(2)16-19-11(10)8-3-4-8/h8H,3-5H2,1-2H3,(H2,13,14,18)
• InChIKey: SYYAPBBGTFHYEH-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.35
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?

The IUPAC name of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea (CID 138011695) is 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea.

What is the SMILES notation for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?

The canonical SMILES for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea is Cc1nnsc1CNC(=O)Nc1c(C)noc1C1CC1.

What is the InChIKey of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?

The InChIKey is SYYAPBBGTFHYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-6-9(20-17-15-6)5-13-12(18)14-10-7(2)16-19-11(10)8-3-4-8/h8H,3-5H2,1-2H3,(H2,13,14,18).

What are the key properties of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?

1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea has a molecular weight of 293.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea is sourced from PubChem (CID 138011695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).