ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate

C19H21NO4 — CID 91160977

IUPACethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(COc2cccc3ccccc23)NO1
InChIInChI=1S/C19H21NO4/c1-3-19(18(21)22-4-2)12-15(20-24-19)13-23-17-11-7-9-14-8-5-6-10-16(14)17/h5-12,20H,3-4,13H2,1-2H3
InChIKeyNURCAENIRFFVEE-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.35
Rot. Bonds6

About ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate

ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate (PubChem CID 91160977) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate
PubChem CID91160977
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(COc2cccc3ccccc23)NO1
InChIInChI=1S/C19H21NO4/c1-3-19(18(21)22-4-2)12-15(20-24-19)13-23-17-11-7-9-14-8-5-6-10-16(14)17/h5-12,20H,3-4,13H2,1-2H3
InChIKeyNURCAENIRFFVEE-UHFFFAOYSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate (CID 91160977) is ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)C=C(COc2cccc3ccccc23)NO1.
What is the InChIKey of ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate?
The InChIKey is NURCAENIRFFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-19(18(21)22-4-2)12-15(20-24-19)13-23-17-11-7-9-14-8-5-6-10-16(14)17/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate?
ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-(naphthalen-1-yloxymethyl)-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 91160977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).