4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C18H22N4O3 — CID 20949011

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 20949011) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 20949011
• Molecular Formula: C18H22N4O3
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.17
• IUPAC Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C)n(Cc2c(C(=O)NC(C)Cc3ccco3)noc2C)n1
• InChI: InChI=1S/C18H22N4O3/c1-11(9-15-6-5-7-24-15)19-18(23)17-16(14(4)25-21-17)10-22-13(3)8-12(2)20-22/h5-8,11H,9-10H2,1-4H3,(H,19,23)
• InChIKey: ZVEFFUGYVKAUBY-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 86.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 20949011) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2c(C(=O)NC(C)Cc3ccco3)noc2C)n1.

What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is ZVEFFUGYVKAUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(9-15-6-5-7-24-15)19-18(23)17-16(14(4)25-21-17)10-22-13(3)8-12(2)20-22/h5-8,11H,9-10H2,1-4H3,(H,19,23).

What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20949011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).