3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide

C21H26FN5O3 — CID 135097903

About 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 135097903) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 135097903
• Molecular Formula: C21H26FN5O3
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.20
• IUPAC Name: 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
• SMILES: COc1cc(-c2onc(N(C)C)c2C(=O)NCCn2nc(C)c(C)c2C)ccc1F
• InChI: InChI=1S/C21H26FN5O3/c1-12-13(2)24-27(14(12)3)10-9-23-21(28)18-19(30-25-20(18)26(4)5)15-7-8-16(22)17(11-15)29-6/h7-8,11H,9-10H2,1-6H3,(H,23,28)
• InChIKey: OFTDZFKUDZBPIX-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 85.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 135097903) is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide is COc1cc(-c2onc(N(C)C)c2C(=O)NCCn2nc(C)c(C)c2C)ccc1F.

What is the InChIKey of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?

The InChIKey is OFTDZFKUDZBPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-12-13(2)24-27(14(12)3)10-9-23-21(28)18-19(30-25-20(18)26(4)5)15-7-8-16(22)17(11-15)29-6/h7-8,11H,9-10H2,1-6H3,(H,23,28).

What are the key properties of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135097903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).