1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

C16H25N5O2 — CID 71865793

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (PubChem CID 71865793) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

Molecular Properties

• Compound Name: 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
• PubChem CID: 71865793
• Molecular Formula: C16H25N5O2
• Molecular Weight: 319.41 g/mol
• Exact Mass: 319.20
• IUPAC Name: 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
• SMILES: CC(C)Cn1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)cn1
• InChI: InChI=1S/C16H25N5O2/c1-11(2)9-21-10-12(6-19-21)20-15(22)18-8-14-17-7-13(23-14)16(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,20,22)
• InChIKey: RERKVZRTMOHRQA-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 84.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.41
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?

The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (CID 71865793) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?

The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is CC(C)Cn1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)cn1.

What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?

The InChIKey is RERKVZRTMOHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)9-21-10-12(6-19-21)20-15(22)18-8-14-17-7-13(23-14)16(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,20,22).

What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea has a molecular weight of 319.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is sourced from PubChem (CID 71865793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).