1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C14H20N4O3S — CID 111441048

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 111441048) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
• PubChem CID: 111441048
• Molecular Formula: C14H20N4O3S
• Molecular Weight: 324.41 g/mol
• Exact Mass: 324.13
• IUPAC Name: 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
• SMILES: CC(C)c1noc(CCNC(=O)NCC(O)c2ccsc2)n1
• InChI: InChI=1S/C14H20N4O3S/c1-9(2)13-17-12(21-18-13)3-5-15-14(20)16-7-11(19)10-4-6-22-8-10/h4,6,8-9,11,19H,3,5,7H2,1-2H3,(H2,15,16,20)
• InChIKey: JBVVTQNZFISPJD-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.41
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 111441048) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is CC(C)c1noc(CCNC(=O)NCC(O)c2ccsc2)n1.

What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The InChIKey is JBVVTQNZFISPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-9(2)13-17-12(21-18-13)3-5-15-14(20)16-7-11(19)10-4-6-22-8-10/h4,6,8-9,11,19H,3,5,7H2,1-2H3,(H2,15,16,20).

What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 324.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 111441048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).