(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate

C24H19NO4 — CID 16588456

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-16-22(25-23(29-16)19-5-3-2-4-6-19)15-28-24(27)20-9-7-17(8-10-20)18-11-13-21(26)14-12-18/h2-14,26H,15H2,1H3
InChIKeyIQESXOPOGVQKAB-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.38
Rot. Bonds5

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 16588456) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
PubChem CID16588456
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-16-22(25-23(29-16)19-5-3-2-4-6-19)15-28-24(27)20-9-7-17(8-10-20)18-11-13-21(26)14-12-18/h2-14,26H,15H2,1H3
InChIKeyIQESXOPOGVQKAB-UHFFFAOYSA-N
XLogP5.38
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-acetyloxyphenyl)benzoate
CID 16588848
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16588856
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 18275248
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(methoxymethyl)benzoate
CID 18145195
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-methoxy-3-nitrobenzoate
CID 16961576

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate (CID 16588456) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate is Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is IQESXOPOGVQKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-16-22(25-23(29-16)19-5-3-2-4-6-19)15-28-24(27)20-9-7-17(8-10-20)18-11-13-21(26)14-12-18/h2-14,26H,15H2,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 385.42 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 16588456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).