2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid

C18H11ClN2O3 — CID 86048852

IUPAC2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)oc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H11ClN2O3/c19-11-7-5-10(6-8-11)17-21-15(18(22)23)16(24-17)13-9-20-14-4-2-1-3-12(13)14/h1-9,20H,(H,22,23)
InChIKeyGHGFZBATXMUMJT-UHFFFAOYSA-N
MW338.75 g/mol
LogP4.84
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid

2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 86048852) has the molecular formula C18H11ClN2O3 and a molecular weight of 338.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID86048852
Molecular FormulaC18H11ClN2O3
Molecular Weight338.75 g/mol
Exact Mass338.05
IUPAC Name2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)oc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H11ClN2O3/c19-11-7-5-10(6-8-11)17-21-15(18(22)23)16(24-17)13-9-20-14-4-2-1-3-12(13)14/h1-9,20H,(H,22,23)
InChIKeyGHGFZBATXMUMJT-UHFFFAOYSA-N
XLogP4.84
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid (CID 86048852) is 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)cc2)oc1-c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is GHGFZBATXMUMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3/c19-11-7-5-10(6-8-11)17-21-15(18(22)23)16(24-17)13-9-20-14-4-2-1-3-12(13)14/h1-9,20H,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 338.75 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 86048852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).