4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C14H19N3O3S — CID 77092555

About 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 77092555) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 77092555
• Molecular Formula: C14H19N3O3S
• Molecular Weight: 309.39 g/mol
• Exact Mass: 309.11
• IUPAC Name: 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1onc(C(=O)NCCc2nc(C(C)C)cs2)c1CO
• InChI: InChI=1S/C14H19N3O3S/c1-8(2)11-7-21-12(16-11)4-5-15-14(19)13-10(6-18)9(3)20-17-13/h7-8,18H,4-6H2,1-3H3,(H,15,19)
• InChIKey: JYRZPRAAMFCBDJ-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.39
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 77092555) is 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NCCc2nc(C(C)C)cs2)c1CO.

What is the InChIKey of 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is JYRZPRAAMFCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8(2)11-7-21-12(16-11)4-5-15-14(19)13-10(6-18)9(3)20-17-13/h7-8,18H,4-6H2,1-3H3,(H,15,19).

What are the key properties of 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?

4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 77092555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).