2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid

C23H25NO7 — CID 69286665

About 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid

2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid (PubChem CID 69286665) has the molecular formula C23H25NO7 and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid
• PubChem CID: 69286665
• Molecular Formula: C23H25NO7
• Molecular Weight: 427.45 g/mol
• Exact Mass: 427.16
• IUPAC Name: 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid
• SMILES: Cc1cccc2oc(=O)n(C[C@@H](O)COc3cccc(CC4(C(=O)O)CCCO4)c3)c12
• InChI: InChI=1S/C23H25NO7/c1-15-5-2-8-19-20(15)24(22(28)31-19)13-17(25)14-29-18-7-3-6-16(11-18)12-23(21(26)27)9-4-10-30-23/h2-3,5-8,11,17,25H,4,9-10,12-14H2,1H3,(H,26,27)/t17-,23?/m1/s1
• InChIKey: ILTSXGOULAEVKO-LIXIDFRTSA-N
• XLogP: 2.52
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.45
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

The IUPAC name of 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid (CID 69286665) is 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid.

What is the SMILES notation for 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

The canonical SMILES for 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid is Cc1cccc2oc(=O)n(C[C@@H](O)COc3cccc(CC4(C(=O)O)CCCO4)c3)c12.

What is the InChIKey of 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

The InChIKey is ILTSXGOULAEVKO-LIXIDFRTSA-N. The full InChI is InChI=1S/C23H25NO7/c1-15-5-2-8-19-20(15)24(22(28)31-19)13-17(25)14-29-18-7-3-6-16(11-18)12-23(21(26)27)9-4-10-30-23/h2-3,5-8,11,17,25H,4,9-10,12-14H2,1H3,(H,26,27)/t17-,23?/m1/s1.

What are the key properties of 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 427.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(2R)-2-hydroxy-3-(4-methyl-2-oxo-1,3-benzoxazol-3-yl)propoxy]phenyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 69286665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).