3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C16H19N7O3 — CID 72930512

About 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea

3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 72930512) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• PubChem CID: 72930512
• Molecular Formula: C16H19N7O3
• Molecular Weight: 357.37 g/mol
• Exact Mass: 357.15
• IUPAC Name: 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
• SMILES: COc1nn(C)c(C)c1NC(=O)N(C)Cc1nc(-c2ccncc2)no1
• InChI: InChI=1S/C16H19N7O3/c1-10-13(15(25-4)20-23(10)3)19-16(24)22(2)9-12-18-14(21-26-12)11-5-7-17-8-6-11/h5-8H,9H2,1-4H3,(H,19,24)
• InChIKey: WCVQCIDJBTTYBE-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 111.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.37
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The IUPAC name of 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 72930512) is 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

What is the SMILES notation for 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The canonical SMILES for 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea is COc1nn(C)c(C)c1NC(=O)N(C)Cc1nc(-c2ccncc2)no1.

What is the InChIKey of 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

The InChIKey is WCVQCIDJBTTYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-10-13(15(25-4)20-23(10)3)19-16(24)22(2)9-12-18-14(21-26-12)11-5-7-17-8-6-11/h5-8H,9H2,1-4H3,(H,19,24).

What are the key properties of 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?

3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 357.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 72930512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).