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

C13H9FN2O3 — CID 117404267

IUPAC5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1ccc2cc(F)c(-c3cc(C(=O)O)no3)cc21
InChIInChI=1S/C13H9FN2O3/c1-16-3-2-7-4-9(14)8(5-11(7)16)12-6-10(13(17)18)15-19-12/h2-6H,1H3,(H,17,18)
InChIKeyZERNJCNLZOEJSO-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.67
Rot. Bonds2

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

5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117404267) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117404267
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESCn1ccc2cc(F)c(-c3cc(C(=O)O)no3)cc21
InChIInChI=1S/C13H9FN2O3/c1-16-3-2-7-4-9(14)8(5-11(7)16)12-6-10(13(17)18)15-19-12/h2-6H,1H3,(H,17,18)
InChIKeyZERNJCNLZOEJSO-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

5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117367183
5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117385140
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
5-(2-methyl-4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375885
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid (CID 117404267) is 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid is Cn1ccc2cc(F)c(-c3cc(C(=O)O)no3)cc21.
What is the InChIKey of 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZERNJCNLZOEJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c1-16-3-2-7-4-9(14)8(5-11(7)16)12-6-10(13(17)18)15-19-12/h2-6H,1H3,(H,17,18).
What are the key properties of 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-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 5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117404267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).