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

C20H19NO5 — CID 32685436

IUPAC[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2coc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H19NO5/c1-13-4-6-14(7-5-13)19-21-16(11-25-19)12-26-20(22)15-8-17(23-2)10-18(9-15)24-3/h4-11H,12H2,1-3H3
InChIKeyARYZQNLXKQWKDM-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.02
Rot. Bonds6

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

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate (PubChem CID 32685436) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
PubChem CID32685436
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2coc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H19NO5/c1-13-4-6-14(7-5-13)19-21-16(11-25-19)12-26-20(22)15-8-17(23-2)10-18(9-15)24-3/h4-11H,12H2,1-3H3
InChIKeyARYZQNLXKQWKDM-UHFFFAOYSA-N
XLogP4.02
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
CID 55539141
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 24671310
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 24657692
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate?
The IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate (CID 32685436) is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCc2coc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate?
The InChIKey is ARYZQNLXKQWKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-4-6-14(7-5-13)19-21-16(11-25-19)12-26-20(22)15-8-17(23-2)10-18(9-15)24-3/h4-11H,12H2,1-3H3.
What are the key properties of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate?
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate has a molecular weight of 353.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 32685436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).