benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate

C24H19NO4 — CID 44556824

IUPACbenzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCc3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C24H19NO4/c1-27-20-14-8-13-19(15-20)23-25-21(22(29-23)18-11-6-3-7-12-18)24(26)28-16-17-9-4-2-5-10-17/h2-15H,16H2,1H3
InChIKeyOZRPLDGGLFUTFF-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.37
Rot. Bonds6

About benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate

benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 44556824) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
PubChem CID44556824
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Namebenzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCc3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C24H19NO4/c1-27-20-14-8-13-19(15-20)23-25-21(22(29-23)18-11-6-3-7-12-18)24(26)28-16-17-9-4-2-5-10-17/h2-15H,16H2,1H3
InChIKeyOZRPLDGGLFUTFF-UHFFFAOYSA-N
XLogP5.37
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
5-amino-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 11658697
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
benzyl 5-(5-bromo-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 139762956
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520905
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate (CID 44556824) is benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate is COc1cccc(-c2nc(C(=O)OCc3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is OZRPLDGGLFUTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-27-20-14-8-13-19(15-20)23-25-21(22(29-23)18-11-6-3-7-12-18)24(26)28-16-17-9-4-2-5-10-17/h2-15H,16H2,1H3.
What are the key properties of benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 44556824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).