benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C24H21NO4 — CID 46885717

IUPACbenzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1COC(c2ccccc2OCc2ccccc2)=N1
InChIInChI=1S/C24H21NO4/c26-24(29-16-19-11-5-2-6-12-19)21-17-28-23(25-21)20-13-7-8-14-22(20)27-15-18-9-3-1-4-10-18/h1-14,21H,15-17H2/t21-/m1/s1
InChIKeyWDINQXXNCSNUOQ-OAQYLSRUSA-N
MW387.44 g/mol
LogP4.15
Rot. Bonds7

About benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 46885717) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID46885717
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namebenzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1COC(c2ccccc2OCc2ccccc2)=N1
InChIInChI=1S/C24H21NO4/c26-24(29-16-19-11-5-2-6-12-19)21-17-28-23(25-21)20-13-7-8-14-22(20)27-15-18-9-3-1-4-10-18/h1-14,21H,15-17H2/t21-/m1/s1
InChIKeyWDINQXXNCSNUOQ-OAQYLSRUSA-N
XLogP4.15
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 46885717) is benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)[C@H]1COC(c2ccccc2OCc2ccccc2)=N1.
What is the InChIKey of benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is WDINQXXNCSNUOQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21NO4/c26-24(29-16-19-11-5-2-6-12-19)21-17-28-23(25-21)20-13-7-8-14-22(20)27-15-18-9-3-1-4-10-18/h1-14,21H,15-17H2/t21-/m1/s1.
What are the key properties of benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-2-(2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46885717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).