4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid

C16H13NO3 — CID 104842342

IUPAC4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cccc3ccccc23)oc1C(=O)O
InChIInChI=1S/C16H13NO3/c1-2-13-14(16(18)19)20-15(17-13)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,18,19)
InChIKeyAXHZOIRXKQZYNE-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.76
Rot. Bonds3

About 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid

4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 104842342) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
PubChem CID104842342
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cccc3ccccc23)oc1C(=O)O
InChIInChI=1S/C16H13NO3/c1-2-13-14(16(18)19)20-15(17-13)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,18,19)
InChIKeyAXHZOIRXKQZYNE-UHFFFAOYSA-N
XLogP3.76
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363
2-(2-chloro-3-fluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459765
5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
CID 70701453
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459766
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
CID 62885349
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842478
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842524
2-(2-bromo-3-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107984237

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid (CID 104842342) is 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2cccc3ccccc23)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is AXHZOIRXKQZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-13-14(16(18)19)20-15(17-13)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).