ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate

C19H15ClN2O4 — CID 4654429

IUPACethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate
SMILESCCOC(=O)c1cccc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)c1
InChIInChI=1S/C19H15ClN2O4/c1-2-25-18(23)13-4-3-5-15(10-13)21-11-16-19(24)26-17(22-16)12-6-8-14(20)9-7-12/h3-11,24H,2H2,1H3/b21-11+
InChIKeyPVEXOAFMSMFKQY-SRZZPIQSSA-N
MW370.79 g/mol
LogP4.63
Rot. Bonds5

About ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate

ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate (PubChem CID 4654429) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate
PubChem CID4654429
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Nameethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate
SMILESCCOC(=O)c1cccc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)c1
InChIInChI=1S/C19H15ClN2O4/c1-2-25-18(23)13-4-3-5-15(10-13)21-11-16-19(24)26-17(22-16)12-6-8-14(20)9-7-12/h3-11,24H,2H2,1H3/b21-11+
InChIKeyPVEXOAFMSMFKQY-SRZZPIQSSA-N
XLogP4.63
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4277075
2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol
CID 135492005
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
ethyl 3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzoate
CID 4257096
ethyl 3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoate
CID 4200499
ethyl 3-[(2-hydroxy-6-oxocyclohexen-1-yl)methylideneamino]benzoate
CID 135470572
(3-ethoxycarbonylphenyl)iminoazanium
CID 144841840
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
4-[(3-chloro-4-fluorophenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3553107
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate?
The IUPAC name of ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate (CID 4654429) is ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate?
The canonical SMILES for ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate is CCOC(=O)c1cccc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)c1.
What is the InChIKey of ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate?
The InChIKey is PVEXOAFMSMFKQY-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-2-25-18(23)13-4-3-5-15(10-13)21-11-16-19(24)26-17(22-16)12-6-8-14(20)9-7-12/h3-11,24H,2H2,1H3/b21-11+.
What are the key properties of ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate?
ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate has a molecular weight of 370.79 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate is sourced from PubChem (CID 4654429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).