ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate

C16H15NO3 — CID 163398530

IUPACethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C16H15NO3/c1-2-19-16(18)15-10-14(17-20-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,2,10H2,1H3
InChIKeyKNDBGORSILHPSA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.90
Rot. Bonds3

About ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate

ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 163398530) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID163398530
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Nameethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C16H15NO3/c1-2-19-16(18)15-10-14(17-20-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,2,10H2,1H3
InChIKeyKNDBGORSILHPSA-UHFFFAOYSA-N
XLogP2.90
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 163398530) is ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate is CCOC(=O)C1CC(c2ccc3ccccc3c2)=NO1.
What is the InChIKey of ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is KNDBGORSILHPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-19-16(18)15-10-14(17-20-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,2,10H2,1H3.
What are the key properties of ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 163398530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).