2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid

C24H24N2O4 — CID 11741962

IUPAC2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid
SMILESCCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2)oc1C)C(=O)O
InChIInChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-18-10-7-11-21-19(18)12-13-26(21)15-20-16(2)30-23(25-20)17-8-5-4-6-9-17/h4-13,22H,3,14-15H2,1-2H3,(H,27,28)
InChIKeyKOXPFQLGGZYKBZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.69
Rot. Bonds8

About 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid

2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid (PubChem CID 11741962) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid
PubChem CID11741962
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid
SMILESCCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2)oc1C)C(=O)O
InChIInChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-18-10-7-11-21-19(18)12-13-26(21)15-20-16(2)30-23(25-20)17-8-5-4-6-9-17/h4-13,22H,3,14-15H2,1-2H3,(H,27,28)
InChIKeyKOXPFQLGGZYKBZ-UHFFFAOYSA-N
XLogP4.69
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid (CID 11741962) is 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid is CCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2)oc1C)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid?
The InChIKey is KOXPFQLGGZYKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-18-10-7-11-21-19(18)12-13-26(21)15-20-16(2)30-23(25-20)17-8-5-4-6-9-17/h4-13,22H,3,14-15H2,1-2H3,(H,27,28).
What are the key properties of 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid?
2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid has a molecular weight of 404.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-4-yl]propanoic acid is sourced from PubChem (CID 11741962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).