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

C16H13NO4 — CID 62885349

IUPAC5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cccc3ccccc23)nc1C(=O)O
InChIInChI=1S/C16H13NO4/c1-2-20-16-13(15(18)19)17-14(21-16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,18,19)
InChIKeyNBPDTYXIPVBHAT-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.59
Rot. Bonds4

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

5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 62885349) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
PubChem CID62885349
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cccc3ccccc23)nc1C(=O)O
InChIInChI=1S/C16H13NO4/c1-2-20-16-13(15(18)19)17-14(21-16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,18,19)
InChIKeyNBPDTYXIPVBHAT-UHFFFAOYSA-N
XLogP3.59
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid (CID 62885349) is 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid is CCOc1oc(-c2cccc3ccccc23)nc1C(=O)O.
What is the InChIKey of 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is NBPDTYXIPVBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-2-20-16-13(15(18)19)17-14(21-16)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 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62885349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).