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

C17H13NO3 — CID 71456437

IUPACbenzyl 5-phenyl-1,2-oxazole-3-carboxylate
SMILESO=C(OCc1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H13NO3/c19-17(20-12-13-7-3-1-4-8-13)15-11-16(21-18-15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyUBTNXLAMOJWWEF-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.70
Rot. Bonds4

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

benzyl 5-phenyl-1,2-oxazole-3-carboxylate (PubChem CID 71456437) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is benzyl 5-phenyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 5-phenyl-1,2-oxazole-3-carboxylate
PubChem CID71456437
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namebenzyl 5-phenyl-1,2-oxazole-3-carboxylate
SMILESO=C(OCc1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H13NO3/c19-17(20-12-13-7-3-1-4-8-13)15-11-16(21-18-15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyUBTNXLAMOJWWEF-UHFFFAOYSA-N
XLogP3.70
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 5-phenyl-1,2-oxazole-3-carboxylate?
The IUPAC name of benzyl 5-phenyl-1,2-oxazole-3-carboxylate (CID 71456437) is benzyl 5-phenyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for benzyl 5-phenyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for benzyl 5-phenyl-1,2-oxazole-3-carboxylate is O=C(OCc1ccccc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of benzyl 5-phenyl-1,2-oxazole-3-carboxylate?
The InChIKey is UBTNXLAMOJWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20-12-13-7-3-1-4-8-13)15-11-16(21-18-15)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of benzyl 5-phenyl-1,2-oxazole-3-carboxylate?
benzyl 5-phenyl-1,2-oxazole-3-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-phenyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 71456437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).