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

C18H19NO3 — CID 91611327

IUPACethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(c2cccc3ccccc23)NO1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21-4-2)12-16(19-22-18)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,19H,3-4H2,1-2H3
InChIKeyMCUYGELKYBWQDR-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.43
Rot. Bonds4

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

ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate (PubChem CID 91611327) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate
PubChem CID91611327
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(c2cccc3ccccc23)NO1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21-4-2)12-16(19-22-18)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,19H,3-4H2,1-2H3
InChIKeyMCUYGELKYBWQDR-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate
CID 91160977
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CID 10834680
ethyl 9-hydroxyfluorene-9-carboxylate
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ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
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CID 57344144
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784
ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
CID 69031566
ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate
CID 54519330
1-bromonaphthalene;ethyl acetate
CID 174701455
ethyl (2S,3S)-2,3-dihydroxy-4-naphthalen-1-yl-2-phenyl-4H-chromene-3-carboxylate
CID 134954463
ethyl acetate;phenanthrene
CID 160726264
ethyl 1-(2-naphthalen-1-ylquinolin-4-yl)-2-oxocyclopentane-1-carboxylate
CID 134867055

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate (CID 91611327) is ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)C=C(c2cccc3ccccc23)NO1.
What is the InChIKey of ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate?
The InChIKey is MCUYGELKYBWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-18(17(20)21-4-2)12-16(19-22-18)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,19H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate?
ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 91611327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).