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

C17H15NO4 — CID 8861226

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c(C)o1
InChIInChI=1S/C17H15NO4/c1-11-8-14(12(2)21-11)17(19)20-10-16-18-9-15(22-16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyXOPJZNCHKNOLSM-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.91
Rot. Bonds4

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

(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 8861226) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID8861226
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c(C)o1
InChIInChI=1S/C17H15NO4/c1-11-8-14(12(2)21-11)17(19)20-10-16-18-9-15(22-16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyXOPJZNCHKNOLSM-UHFFFAOYSA-N
XLogP3.91
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 18205556
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514820
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066783
(5-phenyl-1,3-oxazol-2-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976353
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate (CID 8861226) is (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c(C)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is XOPJZNCHKNOLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11-8-14(12(2)21-11)17(19)20-10-16-18-9-15(22-16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 3.91, 4 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 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 8861226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).