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

C20H18ClN5O3S — CID 19444132

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

4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444132) has the molecular formula C20H18ClN5O3S and a molecular weight of 443.92 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 19444132
• Molecular Formula: C20H18ClN5O3S
• Molecular Weight: 443.92 g/mol
• Exact Mass: 443.08
• IUPAC Name: 4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1onc(C(=O)Nc2nc(-c3cnn(C)c3C)cs2)c1COc1cccc(Cl)c1
• InChI: InChI=1S/C20H18ClN5O3S/c1-11-15(8-22-26(11)3)17-10-30-20(23-17)24-19(27)18-16(12(2)29-25-18)9-28-14-6-4-5-13(21)7-14/h4-8,10H,9H2,1-3H3,(H,23,24,27)
• InChIKey: OCYQKDCWJYSIGI-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.92
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19444132) is 4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2nc(-c3cnn(C)c3C)cs2)c1COc1cccc(Cl)c1.

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

The InChIKey is OCYQKDCWJYSIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3S/c1-11-15(8-22-26(11)3)17-10-30-20(23-17)24-19(27)18-16(12(2)29-25-18)9-28-14-6-4-5-13(21)7-14/h4-8,10H,9H2,1-3H3,(H,23,24,27).

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

4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 443.92 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).