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

C20H23ClN4O3 — CID 19444180

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

4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444180) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 19444180
• Molecular Formula: C20H23ClN4O3
• Molecular Weight: 402.88 g/mol
• Exact Mass: 402.15
• IUPAC Name: 4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C)n(CC(C)NC(=O)c2noc(C)c2COc2cccc(Cl)c2)n1
• InChI: InChI=1S/C20H23ClN4O3/c1-12-8-14(3)25(23-12)10-13(2)22-20(26)19-18(15(4)28-24-19)11-27-17-7-5-6-16(21)9-17/h5-9,13H,10-11H2,1-4H3,(H,22,26)
• InChIKey: YZNRENWBGWVDBM-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.88
LogP ≤ 5	3.85
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-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19444180) is 4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C)n(CC(C)NC(=O)c2noc(C)c2COc2cccc(Cl)c2)n1.

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

The InChIKey is YZNRENWBGWVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-12-8-14(3)25(23-12)10-13(2)22-20(26)19-18(15(4)28-24-19)11-27-17-7-5-6-16(21)9-17/h5-9,13H,10-11H2,1-4H3,(H,22,26).

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

4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 3.85, 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-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).