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

C23H18ClNO4 — CID 16869588

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)OCc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C23H18ClNO4/c1-2-27-20-12-9-15-5-3-4-6-19(15)22(20)23(26)28-14-18-13-21(29-25-18)16-7-10-17(24)11-8-16/h3-13H,2,14H2,1H3
InChIKeyLWAGLJPEPORNEL-UHFFFAOYSA-N
MW407.85 g/mol
LogP5.90
Rot. Bonds6

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

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate (PubChem CID 16869588) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
PubChem CID16869588
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)OCc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C23H18ClNO4/c1-2-27-20-12-9-15-5-3-4-6-19(15)22(20)23(26)28-14-18-13-21(29-25-18)16-7-10-17(24)11-8-16/h3-13H,2,14H2,1H3
InChIKeyLWAGLJPEPORNEL-UHFFFAOYSA-N
XLogP5.90
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.85
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
CID 16869971
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 16869565
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
CID 16869450
2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide
CID 16867643
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-benzylsulfanylacetate
CID 16869606
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
CID 16869694
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 5-nitrofuran-2-carboxylate
CID 16869649

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate (CID 16869588) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate is CCOc1ccc2ccccc2c1C(=O)OCc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
The InChIKey is LWAGLJPEPORNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c1-2-27-20-12-9-15-5-3-4-6-19(15)22(20)23(26)28-14-18-13-21(29-25-18)16-7-10-17(24)11-8-16/h3-13H,2,14H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate has a molecular weight of 407.85 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate is sourced from PubChem (CID 16869588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).