N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C19H21N3O4S — CID 56741300

About N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 56741300) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 56741300
• Molecular Formula: C19H21N3O4S
• Molecular Weight: 387.46 g/mol
• Exact Mass: 387.13
• IUPAC Name: N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1nc2cc(OCc3nc(C(=O)N(C)CC4CCCO4)co3)ccc2s1
• InChI: InChI=1S/C19H21N3O4S/c1-12-20-15-8-13(5-6-17(15)27-12)25-11-18-21-16(10-26-18)19(23)22(2)9-14-4-3-7-24-14/h5-6,8,10,14H,3-4,7,9,11H2,1-2H3
• InChIKey: NIWIYJQJPOHPRE-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 77.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.46
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 56741300) is N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1nc2cc(OCc3nc(C(=O)N(C)CC4CCCO4)co3)ccc2s1.

What is the InChIKey of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is NIWIYJQJPOHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-20-15-8-13(5-6-17(15)27-12)25-11-18-21-16(10-26-18)19(23)22(2)9-14-4-3-7-24-14/h5-6,8,10,14H,3-4,7,9,11H2,1-2H3.

What are the key properties of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56741300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).