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

C17H13NO4 — CID 7790163

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1cccc(O)c1
InChIInChI=1S/C17H13NO4/c19-14-8-4-7-13(9-14)17(20)21-11-16-18-10-15(22-16)12-5-2-1-3-6-12/h1-10,19H,11H2
InChIKeyNMYVBPQKSXTXAV-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.40
Rot. Bonds4

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

(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate (PubChem CID 7790163) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
PubChem CID7790163
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1cccc(O)c1
InChIInChI=1S/C17H13NO4/c19-14-8-4-7-13(9-14)17(20)21-11-16-18-10-15(22-16)12-5-2-1-3-6-12/h1-10,19H,11H2
InChIKeyNMYVBPQKSXTXAV-UHFFFAOYSA-N
XLogP3.40
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(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-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate
CID 8526254
(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
(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 47028405
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
benzyl 3-hydroxybenzoate
CID 11736317

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate (CID 7790163) is (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate is O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(O)c1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate?
The InChIKey is NMYVBPQKSXTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-14-8-4-7-13(9-14)17(20)21-11-16-18-10-15(22-16)12-5-2-1-3-6-12/h1-10,19H,11H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate has a molecular weight of 295.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 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-hydroxybenzoate is sourced from PubChem (CID 7790163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).