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

C19H17NO4 — CID 46201297

IUPACbenzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)OCc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C19H17NO4/c1-13-17(19(21)23-12-14-6-4-3-5-7-14)20-18(24-13)15-8-10-16(22-2)11-9-15/h3-11H,12H2,1-2H3
InChIKeyYHGVKVQTCZOWDS-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.02
Rot. Bonds5

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

benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 46201297) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID46201297
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namebenzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)OCc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C19H17NO4/c1-13-17(19(21)23-12-14-6-4-3-5-7-14)20-18(24-13)15-8-10-16(22-2)11-9-15/h3-11H,12H2,1-2H3
InChIKeyYHGVKVQTCZOWDS-UHFFFAOYSA-N
XLogP4.02
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate (CID 46201297) is benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate is COc1ccc(-c2nc(C(=O)OCc3ccccc3)c(C)o2)cc1.
What is the InChIKey of benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is YHGVKVQTCZOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-17(19(21)23-12-14-6-4-3-5-7-14)20-18(24-13)15-8-10-16(22-2)11-9-15/h3-11H,12H2,1-2H3.
What are the key properties of benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate?
benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).