5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid

C17H23N3O5S — CID 11728648

About 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid

5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 11728648) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
• PubChem CID: 11728648
• Molecular Formula: C17H23N3O5S
• Molecular Weight: 381.45 g/mol
• Exact Mass: 381.14
• IUPAC Name: 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
• SMILES: Cc1oc(-c2csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n2)nc1C(=O)O
• InChI: InChI=1S/C17H23N3O5S/c1-8(2)11(20-16(23)25-17(4,5)6)14-18-10(7-26-14)13-19-12(15(21)22)9(3)24-13/h7-8,11H,1-6H3,(H,20,23)(H,21,22)/t11-/m0/s1
• InChIKey: PVUWJPHCMLFQSC-NSHDSACASA-N
• XLogP: 4.03
• TPSA: 114.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.45
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid?

The IUPAC name of 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid (CID 11728648) is 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid.

What is the SMILES notation for 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid?

The canonical SMILES for 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n2)nc1C(=O)O.

What is the InChIKey of 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid?

The InChIKey is PVUWJPHCMLFQSC-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-8(2)11(20-16(23)25-17(4,5)6)14-18-10(7-26-14)13-19-12(15(21)22)9(3)24-13/h7-8,11H,1-6H3,(H,20,23)(H,21,22)/t11-/m0/s1.

What are the key properties of 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid?

5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 381.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 11728648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).