(2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid

C30H28N2O5 — CID 11260470

About (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid

(2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 11260470) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
• PubChem CID: 11260470
• Molecular Formula: C30H28N2O5
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.20
• IUPAC Name: (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1cccc(C(C)(C)C(=O)N2c3ccccc3C[C@@H]2C(=O)O)c1
• InChI: InChI=1S/C30H28N2O5/c1-19-24(31-27(37-19)20-10-5-4-6-11-20)18-36-23-14-9-13-22(17-23)30(2,3)29(35)32-25-15-8-7-12-21(25)16-26(32)28(33)34/h4-15,17,26H,16,18H2,1-3H3,(H,33,34)/t26-/m1/s1
• InChIKey: SKLDOOHBLSVNHL-AREMUKBSSA-N
• XLogP: 5.55
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid?

The IUPAC name of (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid (CID 11260470) is (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid.

What is the SMILES notation for (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid?

The canonical SMILES for (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid is Cc1oc(-c2ccccc2)nc1COc1cccc(C(C)(C)C(=O)N2c3ccccc3C[C@@H]2C(=O)O)c1.

What is the InChIKey of (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid?

The InChIKey is SKLDOOHBLSVNHL-AREMUKBSSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-19-24(31-27(37-19)20-10-5-4-6-11-20)18-36-23-14-9-13-22(17-23)30(2,3)29(35)32-25-15-8-7-12-21(25)16-26(32)28(33)34/h4-15,17,26H,16,18H2,1-3H3,(H,33,34)/t26-/m1/s1.

What are the key properties of (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid?

(2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 496.56 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 11260470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).