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

C24H19NO4 — CID 10200081

IUPACbenzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C24H19NO4/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/h1-14,17H,15-16H2
InChIKeyLPZGIHNVYXUAOR-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.28
Rot. Bonds7

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

benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 10200081) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID10200081
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Namebenzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C24H19NO4/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/h1-14,17H,15-16H2
InChIKeyLPZGIHNVYXUAOR-UHFFFAOYSA-N
XLogP5.28
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate (CID 10200081) is benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)c1coc(-c2ccccc2OCc2ccccc2)n1.
What is the InChIKey of benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is LPZGIHNVYXUAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/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/h1-14,17H,15-16H2.
What are the key properties of benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-phenylmethoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10200081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).