benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate

C25H23NO3 — CID 135026866

IUPACbenzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate
SMILESO=C(OCc1ccccc1)N1OC(CCc2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C25H23NO3/c27-25(28-19-21-12-6-2-7-13-21)26-24(22-14-8-3-9-15-22)18-23(29-26)17-16-20-10-4-1-5-11-20/h1-15,18,24H,16-17,19H2
InChIKeyXQUNLVQFKQSOPY-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.83
Rot. Bonds6

About benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate

benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate (PubChem CID 135026866) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate
PubChem CID135026866
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Namebenzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate
SMILESO=C(OCc1ccccc1)N1OC(CCc2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C25H23NO3/c27-25(28-19-21-12-6-2-7-13-21)26-24(22-14-8-3-9-15-22)18-23(29-26)17-16-20-10-4-1-5-11-20/h1-15,18,24H,16-17,19H2
InChIKeyXQUNLVQFKQSOPY-UHFFFAOYSA-N
XLogP5.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate?
The IUPAC name of benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate (CID 135026866) is benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate?
The canonical SMILES for benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate is O=C(OCc1ccccc1)N1OC(CCc2ccccc2)=CC1c1ccccc1.
What is the InChIKey of benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate?
The InChIKey is XQUNLVQFKQSOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-25(28-19-21-12-6-2-7-13-21)26-24(22-14-8-3-9-15-22)18-23(29-26)17-16-20-10-4-1-5-11-20/h1-15,18,24H,16-17,19H2.
What are the key properties of benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate?
benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate is sourced from PubChem (CID 135026866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).