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

C23H17NO4 — CID 16521994

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H17NO4/c25-23(18-10-7-13-20(14-18)27-19-11-5-2-6-12-19)26-16-22-24-15-21(28-22)17-8-3-1-4-9-17/h1-15H,16H2
InChIKeyCIJTXSACIJQELW-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.49
Rot. Bonds6

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

(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate (PubChem CID 16521994) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
PubChem CID16521994
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H17NO4/c25-23(18-10-7-13-20(14-18)27-19-11-5-2-6-12-19)26-16-22-24-15-21(28-22)17-8-3-1-4-9-17/h1-15H,16H2
InChIKeyCIJTXSACIJQELW-UHFFFAOYSA-N
XLogP5.49
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate
CID 8526254
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenoxybenzoate
CID 7985148
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 18205556
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654456
(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate (CID 16521994) is (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate is O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate?
The InChIKey is CIJTXSACIJQELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-23(18-10-7-13-20(14-18)27-19-11-5-2-6-12-19)26-16-22-24-15-21(28-22)17-8-3-1-4-9-17/h1-15H,16H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate has a molecular weight of 371.39 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate is sourced from PubChem (CID 16521994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).