(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate

C18H15NO4 — CID 9019208

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C18H15NO4/c1-21-16-9-5-8-14(10-16)18(20)22-12-15-11-17(23-19-15)13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyXTYBQDRYQGKKSX-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.71
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate

(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate (PubChem CID 9019208) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
PubChem CID9019208
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C18H15NO4/c1-21-16-9-5-8-14(10-16)18(20)22-12-15-11-17(23-19-15)13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyXTYBQDRYQGKKSX-UHFFFAOYSA-N
XLogP3.71
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
CID 16869906
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[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
1-O-methyl 3-O-[(5-phenyl-1,2-oxazol-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate
CID 9230720
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522229
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate (CID 9019208) is (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate is COc1cccc(C(=O)OCc2cc(-c3ccccc3)on2)c1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate?
The InChIKey is XTYBQDRYQGKKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-21-16-9-5-8-14(10-16)18(20)22-12-15-11-17(23-19-15)13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate has a molecular weight of 309.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate is sourced from PubChem (CID 9019208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).