3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid

C13H10N2O4 — CID 136985700

IUPAC3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cccc2[nH]c(-c3cc(C(=O)O)on3)cc12
InChIInChI=1S/C13H10N2O4/c1-18-11-4-2-3-8-7(11)5-9(14-8)10-6-12(13(16)17)19-15-10/h2-6,14H,1H3,(H,16,17)
InChIKeyXAYNLJYLBSQOCH-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.53
Rot. Bonds3

About 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid

3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136985700) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID136985700
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1cccc2[nH]c(-c3cc(C(=O)O)on3)cc12
InChIInChI=1S/C13H10N2O4/c1-18-11-4-2-3-8-7(11)5-9(14-8)10-6-12(13(16)17)19-15-10/h2-6,14H,1H3,(H,16,17)
InChIKeyXAYNLJYLBSQOCH-UHFFFAOYSA-N
XLogP2.53
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986503
3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985646
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
2-fluoro-4-methoxy-1H-indole
CID 174907936
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998037

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid (CID 136985700) is 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid is COc1cccc2[nH]c(-c3cc(C(=O)O)on3)cc12.
What is the InChIKey of 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is XAYNLJYLBSQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-18-11-4-2-3-8-7(11)5-9(14-8)10-6-12(13(16)17)19-15-10/h2-6,14H,1H3,(H,16,17).
What are the key properties of 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136985700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).