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

C18H19NO3 — CID 90781978

IUPACethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(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/h5-12,19H,3-4H2,1-2H3
InChIKeyMZZCMGCSODKSBH-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.43
Rot. Bonds4

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

ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate (PubChem CID 90781978) 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-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate
PubChem CID90781978
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(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/h5-12,19H,3-4H2,1-2H3
InChIKeyMZZCMGCSODKSBH-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-ylmethyl)-2H-1,2-oxazole-5-carboxylate
CID 90732069
Methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate
CID 90837060
Ethyl 3-anthracen-9-yl-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 90874410
ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate
CID 91221494
ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate
CID 91248647
Methyl 2-methyl-5-[4-(1-naphthalen-2-ylethenylamino)oxybutyl]-1,3-dioxane-2-carboxylate
CID 91561968
ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate
CID 91611327

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate (CID 90781978) is ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)C=C(c2ccc3ccccc3c2)NO1.
What is the InChIKey of ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate?
The InChIKey is MZZCMGCSODKSBH-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/h5-12,19H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate?
ethyl 5-ethyl-3-naphthalen-2-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-2-yl-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 90781978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).