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

C14H12N2O3 — CID 15958515

IUPAC5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)no2)c2ccccc21
InChIInChI=1S/C14H12N2O3/c1-2-16-8-10(9-5-3-4-6-12(9)16)13-7-11(14(17)18)15-19-13/h3-8H,2H2,1H3,(H,17,18)
InChIKeyCPSJOPIDCJGUJX-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.01
Rot. Bonds3

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

5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 15958515) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID15958515
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)no2)c2ccccc21
InChIInChI=1S/C14H12N2O3/c1-2-16-8-10(9-5-3-4-6-12(9)16)13-7-11(14(17)18)15-19-13/h3-8H,2H2,1H3,(H,17,18)
InChIKeyCPSJOPIDCJGUJX-UHFFFAOYSA-N
XLogP3.01
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958516
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 19620906
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117361908
acetic acid;1-ethylindol-3-ol
CID 71405602
5-(3-methyl-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 16643878
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099
1-ethyl-3-(1-ethylimidazol-2-yl)indole
CID 110540406
5-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid
CID 10752923
5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid (CID 15958515) is 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid is CCn1cc(-c2cc(C(=O)O)no2)c2ccccc21.
What is the InChIKey of 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is CPSJOPIDCJGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-16-8-10(9-5-3-4-6-12(9)16)13-7-11(14(17)18)15-19-13/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 15958515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).