[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate

C18H13Cl2NO3 — CID 16869450

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
SMILESCc1ccc(-c2cc(COC(=O)c3cc(Cl)ccc3Cl)no2)cc1
InChIInChI=1S/C18H13Cl2NO3/c1-11-2-4-12(5-3-11)17-9-14(21-24-17)10-23-18(22)15-8-13(19)6-7-16(15)20/h2-9H,10H2,1H3
InChIKeyZTEQBWBRIUPSSP-UHFFFAOYSA-N
MW362.21 g/mol
LogP5.31
Rot. Bonds4

About [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate (PubChem CID 16869450) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
PubChem CID16869450
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
SMILESCc1ccc(-c2cc(COC(=O)c3cc(Cl)ccc3Cl)no2)cc1
InChIInChI=1S/C18H13Cl2NO3/c1-11-2-4-12(5-3-11)17-9-14(21-24-17)10-23-18(22)15-8-13(19)6-7-16(15)20/h2-9H,10H2,1H3
InChIKeyZTEQBWBRIUPSSP-UHFFFAOYSA-N
XLogP5.31
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.21
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate with MolForge

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Related Compounds

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
CID 16869694
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869448
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 16869565
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
(5-phenyl-1,2-oxazol-3-yl)methyl 5-chloro-2-nitrobenzoate
CID 9286228
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate
CID 16869408
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
[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-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate (CID 16869450) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate is Cc1ccc(-c2cc(COC(=O)c3cc(Cl)ccc3Cl)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate?
The InChIKey is ZTEQBWBRIUPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-11-2-4-12(5-3-11)17-9-14(21-24-17)10-23-18(22)15-8-13(19)6-7-16(15)20/h2-9H,10H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate has a molecular weight of 362.21 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate is sourced from PubChem (CID 16869450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).