3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide

C19H26FN3O4 — CID 135097193

About 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide (PubChem CID 135097193) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 135097193
• Molecular Formula: C19H26FN3O4
• Molecular Weight: 379.43 g/mol
• Exact Mass: 379.19
• IUPAC Name: 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide
• SMILES: COc1cc(-c2onc(N(C)C)c2C(=O)NCC(CO)C(C)C)ccc1F
• InChI: InChI=1S/C19H26FN3O4/c1-11(2)13(10-24)9-21-19(25)16-17(27-22-18(16)23(3)4)12-6-7-14(20)15(8-12)26-5/h6-8,11,13,24H,9-10H2,1-5H3,(H,21,25)
• InChIKey: NQFZXTPLSVMKCY-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 87.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.43
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide (CID 135097193) is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide is COc1cc(-c2onc(N(C)C)c2C(=O)NCC(CO)C(C)C)ccc1F.

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

The InChIKey is NQFZXTPLSVMKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-11(2)13(10-24)9-21-19(25)16-17(27-22-18(16)23(3)4)12-6-7-14(20)15(8-12)26-5/h6-8,11,13,24H,9-10H2,1-5H3,(H,21,25).

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

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135097193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).