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

C12H7FN2O3 — CID 136985646

IUPAC3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cc(F)ccc3[nH]2)no1
InChIInChI=1S/C12H7FN2O3/c13-7-1-2-8-6(3-7)4-9(14-8)10-5-11(12(16)17)18-15-10/h1-5,14H,(H,16,17)
InChIKeyWOUFTIQWKDDDCM-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.66
Rot. Bonds2

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

3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136985646) has the molecular formula C12H7FN2O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID136985646
Molecular FormulaC12H7FN2O3
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cc(F)ccc3[nH]2)no1
InChIInChI=1S/C12H7FN2O3/c13-7-1-2-8-6(3-7)4-9(14-8)10-5-11(12(16)17)18-15-10/h1-5,14H,(H,16,17)
InChIKeyWOUFTIQWKDDDCM-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

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Related Compounds

3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985648
3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985700
4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid
CID 82385331
3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117460495
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827
4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 137313447
3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985610
5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649
3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 137212082
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
3-(3,5-difluoro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349988

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid (CID 136985646) is 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc3cc(F)ccc3[nH]2)no1.
What is the InChIKey of 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is WOUFTIQWKDDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3/c13-7-1-2-8-6(3-7)4-9(14-8)10-5-11(12(16)17)18-15-10/h1-5,14H,(H,16,17).
What are the key properties of 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid?
3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-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 3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136985646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).