1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea

C20H25N5O2 — CID 72898179

About 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea

1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 72898179) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
• PubChem CID: 72898179
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
• SMILES: CCCc1cc(CNC(=O)Nc2ccc(Cn3nc(C)cc3C)cc2)on1
• InChI: InChI=1S/C20H25N5O2/c1-4-5-18-11-19(27-24-18)12-21-20(26)22-17-8-6-16(7-9-17)13-25-15(3)10-14(2)23-25/h6-11H,4-5,12-13H2,1-3H3,(H2,21,22,26)
• InChIKey: CAGLLQFDPZOUSR-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 84.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea (CID 72898179) is 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea.

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

The canonical SMILES for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea is CCCc1cc(CNC(=O)Nc2ccc(Cn3nc(C)cc3C)cc2)on1.

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

The InChIKey is CAGLLQFDPZOUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-5-18-11-19(27-24-18)12-21-20(26)22-17-8-6-16(7-9-17)13-25-15(3)10-14(2)23-25/h6-11H,4-5,12-13H2,1-3H3,(H2,21,22,26).

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

1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 367.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 72898179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).