1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea

C15H16N8O2 — CID 174222058

About 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea

1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 174222058) has the molecular formula C15H16N8O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
• PubChem CID: 174222058
• Molecular Formula: C15H16N8O2
• Molecular Weight: 340.35 g/mol
• Exact Mass: 340.14
• IUPAC Name: 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
• SMILES: CC(NC(=O)Nc1cnoc1C1CC1)c1ncnn1-c1ncccn1
• InChI: InChI=1S/C15H16N8O2/c1-9(13-18-8-19-23(13)14-16-5-2-6-17-14)21-15(24)22-11-7-20-25-12(11)10-3-4-10/h2,5-10H,3-4H2,1H3,(H2,21,22,24)
• InChIKey: ILEYDULGGZVHQP-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 123.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.35
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea (CID 174222058) is 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea.

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

The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea is CC(NC(=O)Nc1cnoc1C1CC1)c1ncnn1-c1ncccn1.

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

The InChIKey is ILEYDULGGZVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2/c1-9(13-18-8-19-23(13)14-16-5-2-6-17-14)21-15(24)22-11-7-20-25-12(11)10-3-4-10/h2,5-10H,3-4H2,1H3,(H2,21,22,24).

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

1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 340.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyclopropyl-1,2-oxazol-4-yl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 174222058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).