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

C18H15NO4 — CID 46201739

IUPACbenzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOc1ccccc1-c1nc(C(=O)OCc2ccccc2)co1
InChIInChI=1S/C18H15NO4/c1-21-16-10-6-5-9-14(16)17-19-15(12-22-17)18(20)23-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyBWFARTVACGRPEY-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.71
Rot. Bonds5

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

benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201739) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID46201739
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namebenzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOc1ccccc1-c1nc(C(=O)OCc2ccccc2)co1
InChIInChI=1S/C18H15NO4/c1-21-16-10-6-5-9-14(16)17-19-15(12-22-17)18(20)23-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyBWFARTVACGRPEY-UHFFFAOYSA-N
XLogP3.71
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate (CID 46201739) is benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate is COc1ccccc1-c1nc(C(=O)OCc2ccccc2)co1.
What is the InChIKey of benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is BWFARTVACGRPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-21-16-10-6-5-9-14(16)17-19-15(12-22-17)18(20)23-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-methoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).