5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid

C14H12N2O4 — CID 115108015

IUPAC5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)no3)n(C)c2c1
InChIInChI=1S/C14H12N2O4/c1-16-11-6-9(19-2)4-3-8(11)5-12(16)13-7-10(14(17)18)15-20-13/h3-7H,1-2H3,(H,17,18)
InChIKeyVJOZUQAXMJCHNS-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.54
Rot. Bonds3

About 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid

5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 115108015) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID115108015
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)no3)n(C)c2c1
InChIInChI=1S/C14H12N2O4/c1-16-11-6-9(19-2)4-3-8(11)5-12(16)13-7-10(14(17)18)15-20-13/h3-7H,1-2H3,(H,17,18)
InChIKeyVJOZUQAXMJCHNS-UHFFFAOYSA-N
XLogP2.54
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109391
3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107760
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 115107842
propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 58490950
2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 67684970
5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110214
3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 71964428
5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid (CID 115108015) is 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid is COc1ccc2cc(-c3cc(C(=O)O)no3)n(C)c2c1.
What is the InChIKey of 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is VJOZUQAXMJCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-16-11-6-9(19-2)4-3-8(11)5-12(16)13-7-10(14(17)18)15-20-13/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115108015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).