2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid

C21H18N2O4 — CID 67685141

IUPAC2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc2cc(-c3ccccc3)n(Cc3nc(C(=O)O)co3)c2cc1C
InChIInChI=1S/C21H18N2O4/c1-13-8-17-15(10-19(13)26-2)9-18(14-6-4-3-5-7-14)23(17)11-20-22-16(12-27-20)21(24)25/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyJFAWITRQYFGBNN-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.36
Rot. Bonds5

About 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid

2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 67685141) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID67685141
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc2cc(-c3ccccc3)n(Cc3nc(C(=O)O)co3)c2cc1C
InChIInChI=1S/C21H18N2O4/c1-13-8-17-15(10-19(13)26-2)9-18(14-6-4-3-5-7-14)23(17)11-20-22-16(12-27-20)21(24)25/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyJFAWITRQYFGBNN-UHFFFAOYSA-N
XLogP4.36
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid (CID 67685141) is 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid is COc1cc2cc(-c3ccccc3)n(Cc3nc(C(=O)O)co3)c2cc1C.
What is the InChIKey of 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is JFAWITRQYFGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-13-8-17-15(10-19(13)26-2)9-18(14-6-4-3-5-7-14)23(17)11-20-22-16(12-27-20)21(24)25/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-methyl-2-phenylindol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67685141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).