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

C12H7FN2O3 — CID 82384701

IUPAC5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c[nH]c3cc(F)ccc23)o1
InChIInChI=1S/C12H7FN2O3/c13-6-1-2-7-8(4-14-9(7)3-6)10-5-15-11(18-10)12(16)17/h1-5,14H,(H,16,17)
InChIKeyBUDJXLBWVJAYKQ-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.66
Rot. Bonds2

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

5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid (PubChem CID 82384701) has the molecular formula C12H7FN2O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid
PubChem CID82384701
Molecular FormulaC12H7FN2O3
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c[nH]c3cc(F)ccc23)o1
InChIInChI=1S/C12H7FN2O3/c13-6-1-2-7-8(4-14-9(7)3-6)10-5-15-11(18-10)12(16)17/h1-5,14H,(H,16,17)
InChIKeyBUDJXLBWVJAYKQ-UHFFFAOYSA-N
XLogP2.66
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 18695170
3-(3-fluorophenyl)-1H-indole-6-carboxylic acid
CID 59625885
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248
6-(6-fluoro-1H-indol-3-yl)-3H-furo[3,2-b]pyridin-2-one
CID 160959371
2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 118292934
5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
CID 136985855
3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
CID 169482966
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423
[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid
CID 118292951
1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760577
2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073431
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid (CID 82384701) is 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid is O=C(O)c1ncc(-c2c[nH]c3cc(F)ccc23)o1.
What is the InChIKey of 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is BUDJXLBWVJAYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3/c13-6-1-2-7-8(4-14-9(7)3-6)10-5-15-11(18-10)12(16)17/h1-5,14H,(H,16,17).
What are the key properties of 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid?
5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 246.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 82384701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).