3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one

C25H21N3O6S — CID 137350522

About 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one

3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one (PubChem CID 137350522) has the molecular formula C25H21N3O6S and a molecular weight of 491.53 g/mol. Its IUPAC name is 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
• PubChem CID: 137350522
• Molecular Formula: C25H21N3O6S
• Molecular Weight: 491.53 g/mol
• Exact Mass: 491.12
• IUPAC Name: 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
• SMILES: Cc1c([C@@H]2CN(C(=O)c3cnc(-c4ccc5oc(=O)n(C)c5c4)s3)CCO2)ccc2c1COC2=O
• InChI: InChI=1S/C25H21N3O6S/c1-13-15(4-5-16-17(13)12-33-24(16)30)20-11-28(7-8-32-20)23(29)21-10-26-22(35-21)14-3-6-19-18(9-14)27(2)25(31)34-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3/t20-/m0/s1
• InChIKey: CQONUKWZYWUQBY-FQEVSTJZSA-N
• XLogP: 3.45
• TPSA: 103.87 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.53
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?

The IUPAC name of 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one (CID 137350522) is 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one.

What is the SMILES notation for 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?

The canonical SMILES for 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one is Cc1c([C@@H]2CN(C(=O)c3cnc(-c4ccc5oc(=O)n(C)c5c4)s3)CCO2)ccc2c1COC2=O.

What is the InChIKey of 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?

The InChIKey is CQONUKWZYWUQBY-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H21N3O6S/c1-13-15(4-5-16-17(13)12-33-24(16)30)20-11-28(7-8-32-20)23(29)21-10-26-22(35-21)14-3-6-19-18(9-14)27(2)25(31)34-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3/t20-/m0/s1.

What are the key properties of 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one?

3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one has a molecular weight of 491.53 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 137350522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).