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

C13H9FN2O3 — CID 115108431

IUPAC3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)on2)c2cc(F)ccc21
InChIInChI=1S/C13H9FN2O3/c1-16-6-9(8-4-7(14)2-3-11(8)16)10-5-12(13(17)18)19-15-10/h2-6H,1H3,(H,17,18)
InChIKeyKWDDVTWCMCPINU-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.67
Rot. Bonds2

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

3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 115108431) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID115108431
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)on2)c2cc(F)ccc21
InChIInChI=1S/C13H9FN2O3/c1-16-6-9(8-4-7(14)2-3-11(8)16)10-5-12(13(17)18)19-15-10/h2-6H,1H3,(H,17,18)
InChIKeyKWDDVTWCMCPINU-UHFFFAOYSA-N
XLogP2.67
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid
CID 115108350
3-(3,5-difluoro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349988
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
[3-(5-bromo-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone
CID 155810946
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
CID 127020386
3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117455193
2-(6-fluoro-1-methylindol-3-yl)pyridin-4-amine
CID 115114118
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-isoquinolin-4-yl-1,2-oxazole-5-carboxylic acid
CID 104504438
3-(2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117345979
3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482134

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid (CID 115108431) is 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid is Cn1cc(-c2cc(C(=O)O)on2)c2cc(F)ccc21.
What is the InChIKey of 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KWDDVTWCMCPINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c1-16-6-9(8-4-7(14)2-3-11(8)16)10-5-12(13(17)18)19-15-10/h2-6H,1H3,(H,17,18).
What are the key properties of 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid?
3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 260.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 115108431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).