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

C18H15NO3 — CID 46201743

IUPACbenzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1
InChIInChI=1S/C18H15NO3/c1-13-7-9-15(10-8-13)17-19-16(12-21-17)18(20)22-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyHJHCTZXICKVCBR-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.01
Rot. Bonds4

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

benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201743) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID46201743
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namebenzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1
InChIInChI=1S/C18H15NO3/c1-13-7-9-15(10-8-13)17-19-16(12-21-17)18(20)22-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyHJHCTZXICKVCBR-UHFFFAOYSA-N
XLogP4.01
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-(4-methylphenyl)-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-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate (CID 46201743) is benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate is Cc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1.
What is the InChIKey of benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is HJHCTZXICKVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-13-7-9-15(10-8-13)17-19-16(12-21-17)18(20)22-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).