4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C19H21ClN4O3 — CID 19443972

About 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443972) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 19443972
• Molecular Formula: C19H21ClN4O3
• Molecular Weight: 388.86 g/mol
• Exact Mass: 388.13
• IUPAC Name: 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: CCn1cc(CNC(=O)c2noc(C)c2COc2cccc(Cl)c2)c(C)n1
• InChI: InChI=1S/C19H21ClN4O3/c1-4-24-10-14(12(2)22-24)9-21-19(25)18-17(13(3)27-23-18)11-26-16-7-5-6-15(20)8-16/h5-8,10H,4,9,11H2,1-3H3,(H,21,25)
• InChIKey: WCWZSTXFNHYRDR-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.86
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19443972) is 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CCn1cc(CNC(=O)c2noc(C)c2COc2cccc(Cl)c2)c(C)n1.

What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is WCWZSTXFNHYRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-4-24-10-14(12(2)22-24)9-21-19(25)18-17(13(3)27-23-18)11-26-16-7-5-6-15(20)8-16/h5-8,10H,4,9,11H2,1-3H3,(H,21,25).

What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?

4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).