1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C17H20N6O2 — CID 99705670

About 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 99705670) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
• PubChem CID: 99705670
• Molecular Formula: C17H20N6O2
• Molecular Weight: 340.39 g/mol
• Exact Mass: 340.16
• IUPAC Name: 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
• SMILES: Cc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3noc(C)n3)c2)n[nH]1
• InChI: InChI=1S/C17H20N6O2/c1-10(7-15-8-11(2)21-22-15)18-17(24)20-14-6-4-5-13(9-14)16-19-12(3)25-23-16/h4-6,8-10H,7H2,1-3H3,(H,21,22)(H2,18,20,24)/t10-/m0/s1
• InChIKey: FMRJYGPOQIYTJI-JTQLQIEISA-N
• XLogP: 2.83
• TPSA: 108.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.39
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 99705670) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is Cc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3noc(C)n3)c2)n[nH]1.

What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The InChIKey is FMRJYGPOQIYTJI-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10(7-15-8-11(2)21-22-15)18-17(24)20-14-6-4-5-13(9-14)16-19-12(3)25-23-16/h4-6,8-10H,7H2,1-3H3,(H,21,22)(H2,18,20,24)/t10-/m0/s1.

What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 99705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).