5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid

C16H14N2O3 — CID 168876066

IUPAC5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)=Cn1ccc2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C16H14N2O3/c1-10(2)9-18-6-5-11-7-12(3-4-14(11)18)15-8-13(16(19)20)17-21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyGUONUPRDBBPKBL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.88
Rot. Bonds3

About 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid

5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid (PubChem CID 168876066) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid
PubChem CID168876066
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)=Cn1ccc2cc(-c3cc(C(=O)O)no3)ccc21
InChIInChI=1S/C16H14N2O3/c1-10(2)9-18-6-5-11-7-12(3-4-14(11)18)15-8-13(16(19)20)17-21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyGUONUPRDBBPKBL-UHFFFAOYSA-N
XLogP3.88
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid (CID 168876066) is 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid is CC(C)=Cn1ccc2cc(-c3cc(C(=O)O)no3)ccc21.
What is the InChIKey of 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GUONUPRDBBPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(2)9-18-6-5-11-7-12(3-4-14(11)18)15-8-13(16(19)20)17-21-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid?
5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylprop-1-enyl)indol-5-yl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 168876066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).