methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate

C19H16ClN3O5S — CID 2970386

About methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate

methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 2970386) has the molecular formula C19H16ClN3O5S and a molecular weight of 433.87 g/mol. Its IUPAC name is methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
• PubChem CID: 2970386
• Molecular Formula: C19H16ClN3O5S
• Molecular Weight: 433.87 g/mol
• Exact Mass: 433.05
• IUPAC Name: methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
• SMILES: COC(=O)c1c(NC(=O)c2cc(C)on2)sc(C(=O)Nc2ccc(Cl)cc2)c1C
• InChI: InChI=1S/C19H16ClN3O5S/c1-9-8-13(23-28-9)16(24)22-18-14(19(26)27-3)10(2)15(29-18)17(25)21-12-6-4-11(20)5-7-12/h4-8H,1-3H3,(H,21,25)(H,22,24)
• InChIKey: UZLJZKQMCWPIRD-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 110.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.87
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?

The IUPAC name of methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 2970386) is methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.

What is the SMILES notation for methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?

The canonical SMILES for methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cc(C)on2)sc(C(=O)Nc2ccc(Cl)cc2)c1C.

What is the InChIKey of methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?

The InChIKey is UZLJZKQMCWPIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5S/c1-9-8-13(23-28-9)16(24)22-18-14(19(26)27-3)10(2)15(29-18)17(25)21-12-6-4-11(20)5-7-12/h4-8H,1-3H3,(H,21,25)(H,22,24).

What are the key properties of methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?

methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 433.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2970386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).