ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate

C17H15NO3 — CID 54115065

IUPACethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate
SMILESCCOC(=O)c1cccc2c(-c3cnc(C)o3)cccc12
InChIInChI=1S/C17H15NO3/c1-3-20-17(19)15-9-5-6-12-13(15)7-4-8-14(12)16-10-18-11(2)21-16/h4-10H,3H2,1-2H3
InChIKeyNJTXZBZSTICGJX-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.98
Rot. Bonds3

About ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate

ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate (PubChem CID 54115065) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate
PubChem CID54115065
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate
SMILESCCOC(=O)c1cccc2c(-c3cnc(C)o3)cccc12
InChIInChI=1S/C17H15NO3/c1-3-20-17(19)15-9-5-6-12-13(15)7-4-8-14(12)16-10-18-11(2)21-16/h4-10H,3H2,1-2H3
InChIKeyNJTXZBZSTICGJX-UHFFFAOYSA-N
XLogP3.98
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl chrysene-1-carboxylate
CID 86251232
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288110
1,5-bis(ethoxycarbonyl)naphthalene-2-carboxylic acid
CID 20562968
ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
CID 174669716
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 1-oxidoquinolin-1-ium-5-carboxylate
CID 102543972
ethyl 9H-pyrido[2,3-b]indole-8-carboxylate
CID 135002978
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate?
The IUPAC name of ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate (CID 54115065) is ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate?
The canonical SMILES for ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate is CCOC(=O)c1cccc2c(-c3cnc(C)o3)cccc12.
What is the InChIKey of ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate?
The InChIKey is NJTXZBZSTICGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-20-17(19)15-9-5-6-12-13(15)7-4-8-14(12)16-10-18-11(2)21-16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate?
ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 54115065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).