1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C18H21ClN6O2 — CID 118770678

About 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 118770678) has the molecular formula C18H21ClN6O2 and a molecular weight of 388.86 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• PubChem CID: 118770678
• Molecular Formula: C18H21ClN6O2
• Molecular Weight: 388.86 g/mol
• Exact Mass: 388.14
• IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• SMILES: Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NCc1nc(C(C)C)no1
• InChI: InChI=1S/C18H21ClN6O2/c1-11(2)16-22-15(27-24-16)9-20-18(26)23-17-12(3)8-21-25(17)10-13-5-4-6-14(19)7-13/h4-8,11H,9-10H2,1-3H3,(H2,20,23,26)
• InChIKey: SIVGEGVTTXWWAX-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.86
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 118770678) is 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NCc1nc(C(C)C)no1.

What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The InChIKey is SIVGEGVTTXWWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O2/c1-11(2)16-22-15(27-24-16)9-20-18(26)23-17-12(3)8-21-25(17)10-13-5-4-6-14(19)7-13/h4-8,11H,9-10H2,1-3H3,(H2,20,23,26).

What are the key properties of 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 388.86 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 118770678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).