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

C25H21NO5 — CID 18205556

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H21NO5/c27-25(30-18-24-26-17-23(31-24)19-9-3-1-4-10-19)21-13-7-8-14-22(21)29-16-15-28-20-11-5-2-6-12-20/h1-14,17H,15-16,18H2
InChIKeyWEUOUMAVDZUURP-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.16
Rot. Bonds9

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

(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate (PubChem CID 18205556) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
PubChem CID18205556
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H21NO5/c27-25(30-18-24-26-17-23(31-24)19-9-3-1-4-10-19)21-13-7-8-14-22(21)29-16-15-28-20-11-5-2-6-12-20/h1-14,17H,15-16,18H2
InChIKeyWEUOUMAVDZUURP-UHFFFAOYSA-N
XLogP5.16
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-benzoxazol-2-ylmethyl 2-(2-phenoxyethoxy)benzoate
CID 9405475
(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514820
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066783
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 47028405

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate (CID 18205556) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate is O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate?
The InChIKey is WEUOUMAVDZUURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c27-25(30-18-24-26-17-23(31-24)19-9-3-1-4-10-19)21-13-7-8-14-22(21)29-16-15-28-20-11-5-2-6-12-20/h1-14,17H,15-16,18H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate has a molecular weight of 415.45 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 18205556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).