benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate

C17H15NO3 — CID 14998593

IUPACbenzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15NO3/c19-17(20-12-13-7-3-1-4-8-13)16-11-15(18-21-16)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyXRVGKGGISAXAAZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.92
Rot. Bonds4

About benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate

benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 14998593) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID14998593
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namebenzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15NO3/c19-17(20-12-13-7-3-1-4-8-13)16-11-15(18-21-16)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyXRVGKGGISAXAAZ-UHFFFAOYSA-N
XLogP2.92
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 14998593) is benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is O=C(OCc1ccccc1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is XRVGKGGISAXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(20-12-13-7-3-1-4-8-13)16-11-15(18-21-16)14-9-5-2-6-10-14/h1-10,16H,11-12H2.
What are the key properties of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 14998593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).