1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea

C15H16N6O3 — CID 95769889

About 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea

1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 95769889) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

• Compound Name: 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
• PubChem CID: 95769889
• Molecular Formula: C15H16N6O3
• Molecular Weight: 328.33 g/mol
• Exact Mass: 328.13
• IUPAC Name: 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
• SMILES: COc1ccccc1[C@@H](NC(=O)Nc1cn[nH]c1)c1noc(C)n1
• InChI: InChI=1S/C15H16N6O3/c1-9-18-14(21-24-9)13(11-5-3-4-6-12(11)23-2)20-15(22)19-10-7-16-17-8-10/h3-8,13H,1-2H3,(H,16,17)(H2,19,20,22)/t13-/m1/s1
• InChIKey: CORJYPMZMLRFTL-CYBMUJFWSA-N
• XLogP: 2.02
• TPSA: 117.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.33
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea (CID 95769889) is 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea.

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

The canonical SMILES for 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea is COc1ccccc1[C@@H](NC(=O)Nc1cn[nH]c1)c1noc(C)n1.

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

The InChIKey is CORJYPMZMLRFTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-9-18-14(21-24-9)13(11-5-3-4-6-12(11)23-2)20-15(22)19-10-7-16-17-8-10/h3-8,13H,1-2H3,(H,16,17)(H2,19,20,22)/t13-/m1/s1.

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

1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 328.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 95769889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).