ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate

C17H15NO4 — CID 10447326

IUPACethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2cc(-c3ncco3)ccc2c1
InChIInChI=1S/C17H15NO4/c1-2-20-16(19)11-22-15-6-5-12-9-14(4-3-13(12)10-15)17-18-7-8-21-17/h3-10H,2,11H2,1H3
InChIKeyJBMDGSSCSJCRIT-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate

ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate (PubChem CID 10447326) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate
PubChem CID10447326
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Nameethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2cc(-c3ncco3)ccc2c1
InChIInChI=1S/C17H15NO4/c1-2-20-16(19)11-22-15-6-5-12-9-14(4-3-13(12)10-15)17-18-7-8-21-17/h3-10H,2,11H2,1H3
InChIKeyJBMDGSSCSJCRIT-UHFFFAOYSA-N
XLogP3.44
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]pyrimidine-4-carboxylate
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ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
CID 10002638
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
ethyl 2-[6-(6-cyclopentyloxy-2-pyridinyl)naphthalen-2-yl]oxyacetate
CID 121447093
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
ethyl 2-[6-(cyanomethyl)naphthalen-2-yl]oxyacetate
CID 170886250
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 6-[6-(4-tert-butyl-1,3-oxazol-2-yl)naphthalen-2-yl]oxyhexanoate
CID 10364169
ethyl 2-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]acetate
CID 7310631
(E)-3-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 150452876

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate (CID 10447326) is ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate is CCOC(=O)COc1ccc2cc(-c3ncco3)ccc2c1.
What is the InChIKey of ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate?
The InChIKey is JBMDGSSCSJCRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-20-16(19)11-22-15-6-5-12-9-14(4-3-13(12)10-15)17-18-7-8-21-17/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate?
ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate has a molecular weight of 297.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate is sourced from PubChem (CID 10447326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).