[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate

C24H21NO5 — CID 16869971

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)OCc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C24H21NO5/c1-3-28-21-13-10-16-6-4-5-7-20(16)23(21)24(26)29-15-18-14-22(30-25-18)17-8-11-19(27-2)12-9-17/h4-14H,3,15H2,1-2H3
InChIKeyNYFHWNIUVQNEST-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.26
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate (PubChem CID 16869971) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
PubChem CID16869971
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)OCc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C24H21NO5/c1-3-28-21-13-10-16-6-4-5-7-20(16)23(21)24(26)29-15-18-14-22(30-25-18)17-8-11-19(27-2)12-9-17/h4-14H,3,15H2,1-2H3
InChIKeyNYFHWNIUVQNEST-UHFFFAOYSA-N
XLogP5.26
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
CID 16869588
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate
CID 16869988
2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide
CID 16867643
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate (CID 16869971) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate is CCOc1ccc2ccccc2c1C(=O)OCc1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
The InChIKey is NYFHWNIUVQNEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-3-28-21-13-10-16-6-4-5-7-20(16)23(21)24(26)29-15-18-14-22(30-25-18)17-8-11-19(27-2)12-9-17/h4-14H,3,15H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate is sourced from PubChem (CID 16869971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).