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

C20H19NO3 — CID 16869420

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
SMILESCc1ccc(-c2cc(COC(=O)c3cc(C)cc(C)c3)no2)cc1
InChIInChI=1S/C20H19NO3/c1-13-4-6-16(7-5-13)19-11-18(21-24-19)12-23-20(22)17-9-14(2)8-15(3)10-17/h4-11H,12H2,1-3H3
InChIKeyCGVIKAVCBSICCF-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.62
Rot. Bonds4

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

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate (PubChem CID 16869420) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
PubChem CID16869420
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
SMILESCc1ccc(-c2cc(COC(=O)c3cc(C)cc(C)c3)no2)cc1
InChIInChI=1S/C20H19NO3/c1-13-4-6-16(7-5-13)19-11-18(21-24-19)12-23-20(22)17-9-14(2)8-15(3)10-17/h4-11H,12H2,1-3H3
InChIKeyCGVIKAVCBSICCF-UHFFFAOYSA-N
XLogP4.62
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869448
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
CID 16869450
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate
CID 16869408
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
[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-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
CID 16869469

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate (CID 16869420) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate is Cc1ccc(-c2cc(COC(=O)c3cc(C)cc(C)c3)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate?
The InChIKey is CGVIKAVCBSICCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-4-6-16(7-5-13)19-11-18(21-24-19)12-23-20(22)17-9-14(2)8-15(3)10-17/h4-11H,12H2,1-3H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate has a molecular weight of 321.38 g/mol, XLogP of 4.62, 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 3,5-dimethylbenzoate is sourced from PubChem (CID 16869420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).