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

C18H19NO3 — CID 68830519

IUPACethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21-4-2)12-16(19-22-18)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,3-4,12H2,1-2H3
InChIKeyOVHFDLUCZBXYMK-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.68
Rot. Bonds4

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

ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 68830519) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID68830519
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21-4-2)12-16(19-22-18)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,3-4,12H2,1-2H3
InChIKeyOVHFDLUCZBXYMK-UHFFFAOYSA-N
XLogP3.68
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate (CID 68830519) is ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)CC(c2ccc3ccccc3c2)=NO1.
What is the InChIKey of ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is OVHFDLUCZBXYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-18(17(20)21-4-2)12-16(19-22-18)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate?
ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 68830519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).