3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one

C20H19NO5S — CID 102512001

About 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one

3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 102512001) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
• PubChem CID: 102512001
• Molecular Formula: C20H19NO5S
• Molecular Weight: 385.44 g/mol
• Exact Mass: 385.10
• IUPAC Name: 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc([C@@H]2Sc3ccccc3[C@H](O)[C@H]2C(=O)N2CCOC2=O)cc1
• InChI: InChI=1S/C20H19NO5S/c1-25-13-8-6-12(7-9-13)18-16(19(23)21-10-11-26-20(21)24)17(22)14-4-2-3-5-15(14)27-18/h2-9,16-18,22H,10-11H2,1H3/t16-,17+,18+/m1/s1
• InChIKey: WVOLBZCMTVVGKR-SQNIBIBYSA-N
• XLogP: 3.17
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.44
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one (CID 102512001) is 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one is COc1ccc([C@@H]2Sc3ccccc3[C@H](O)[C@H]2C(=O)N2CCOC2=O)cc1.

What is the InChIKey of 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?

The InChIKey is WVOLBZCMTVVGKR-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-25-13-8-6-12(7-9-13)18-16(19(23)21-10-11-26-20(21)24)17(22)14-4-2-3-5-15(14)27-18/h2-9,16-18,22H,10-11H2,1H3/t16-,17+,18+/m1/s1.

What are the key properties of 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one?

3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 385.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102512001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).