5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C18H12N2O5 — CID 46398842

IUPAC5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2c(C(=O)O)cc3ccc4ccccc4c32)on1
InChIInChI=1S/C18H12N2O5/c21-17(22)14-8-12(25-19-14)9-20-15(18(23)24)7-11-6-5-10-3-1-2-4-13(10)16(11)20/h1-8H,9H2,(H,21,22)(H,23,24)
InChIKeyIWARKPAWPYGVBI-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.23
Rot. Bonds4

About 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 46398842) has the molecular formula C18H12N2O5 and a molecular weight of 336.30 g/mol. Its IUPAC name is 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID46398842
Molecular FormulaC18H12N2O5
Molecular Weight336.30 g/mol
Exact Mass336.07
IUPAC Name5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2c(C(=O)O)cc3ccc4ccccc4c32)on1
InChIInChI=1S/C18H12N2O5/c21-17(22)14-8-12(25-19-14)9-20-15(18(23)24)7-11-6-5-10-3-1-2-4-13(10)16(11)20/h1-8H,9H2,(H,21,22)(H,23,24)
InChIKeyIWARKPAWPYGVBI-UHFFFAOYSA-N
XLogP3.23
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 46398842) is 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(Cn2c(C(=O)O)cc3ccc4ccccc4c32)on1.
What is the InChIKey of 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is IWARKPAWPYGVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O5/c21-17(22)14-8-12(25-19-14)9-20-15(18(23)24)7-11-6-5-10-3-1-2-4-13(10)16(11)20/h1-8H,9H2,(H,21,22)(H,23,24).
What are the key properties of 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 336.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-carboxybenzo[g]indol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 46398842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).