5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid

C14H12N2O4 — CID 117433252

IUPAC5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)no2)c2ccn(C)c12
InChIInChI=1S/C14H12N2O4/c1-16-6-5-9-8(3-4-11(19-2)13(9)16)12-7-10(14(17)18)15-20-12/h3-7H,1-2H3,(H,17,18)
InChIKeySWDOYEXFPDFTPB-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.54
Rot. Bonds3

About 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid

5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117433252) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117433252
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)no2)c2ccn(C)c12
InChIInChI=1S/C14H12N2O4/c1-16-6-5-9-8(3-4-11(19-2)13(9)16)12-7-10(14(17)18)15-20-12/h3-7H,1-2H3,(H,17,18)
InChIKeySWDOYEXFPDFTPB-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-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459377
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine
CID 82386450
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
5-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451195
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid (CID 117433252) is 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)no2)c2ccn(C)c12.
What is the InChIKey of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is SWDOYEXFPDFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-16-6-5-9-8(3-4-11(19-2)13(9)16)12-7-10(14(17)18)15-20-12/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid?
5-(7-methoxy-1-methylindol-4-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-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117433252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).