5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid

C16H11Cl2N3O4 — CID 69377352

About 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 69377352) has the molecular formula C16H11Cl2N3O4 and a molecular weight of 380.19 g/mol. Its IUPAC name is 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid
• PubChem CID: 69377352
• Molecular Formula: C16H11Cl2N3O4
• Molecular Weight: 380.19 g/mol
• Exact Mass: 379.01
• IUPAC Name: 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid
• SMILES: Cc1[nH]c(C(=O)Nc2ccc(-c3cc(C(=O)O)no3)cc2)c(Cl)c1Cl
• InChI: InChI=1S/C16H11Cl2N3O4/c1-7-12(17)13(18)14(19-7)15(22)20-9-4-2-8(3-5-9)11-6-10(16(23)24)21-25-11/h2-6,19H,1H3,(H,20,22)(H,23,24)
• InChIKey: DKXMLKHUHKPFRJ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 108.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.19
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid (CID 69377352) is 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid is Cc1[nH]c(C(=O)Nc2ccc(-c3cc(C(=O)O)no3)cc2)c(Cl)c1Cl.

What is the InChIKey of 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid?

The InChIKey is DKXMLKHUHKPFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O4/c1-7-12(17)13(18)14(19-7)15(22)20-9-4-2-8(3-5-9)11-6-10(16(23)24)21-25-11/h2-6,19H,1H3,(H,20,22)(H,23,24).

What are the key properties of 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid?

5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 380.19 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 69377352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).