4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide

C17H21N3O5 — CID 135895337

About 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide

4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 135895337) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide
• PubChem CID: 135895337
• Molecular Formula: C17H21N3O5
• Molecular Weight: 347.37 g/mol
• Exact Mass: 347.15
• IUPAC Name: 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(C)=O
• InChI: InChI=1S/C17H21N3O5/c1-5-18-17(24)15-14(19-9(4)21)16(25-20-15)11-6-10(8(2)3)12(22)7-13(11)23/h6-8,22-23H,5H2,1-4H3,(H,18,24)(H,19,21)
• InChIKey: KBNLPGKGXMPKID-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 124.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.37
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide (CID 135895337) is 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(C)=O.

What is the InChIKey of 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide?

The InChIKey is KBNLPGKGXMPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-5-18-17(24)15-14(19-9(4)21)16(25-20-15)11-6-10(8(2)3)12(22)7-13(11)23/h6-8,22-23H,5H2,1-4H3,(H,18,24)(H,19,21).

What are the key properties of 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide?

4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135895337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).