[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate

C20H15ClN4O4 — CID 166200703

IUPAC[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate
SMILESCOc1ccc(-c2nc(COC(=O)c3cnnn3-c3ccccc3Cl)co2)cc1
InChIInChI=1S/C20H15ClN4O4/c1-27-15-8-6-13(7-9-15)19-23-14(11-28-19)12-29-20(26)18-10-22-24-25(18)17-5-3-2-4-16(17)21/h2-11H,12H2,1H3
InChIKeyIIVXCGKTKPCWHJ-UHFFFAOYSA-N
MW410.82 g/mol
LogP3.94
Rot. Bonds6

About [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate (PubChem CID 166200703) has the molecular formula C20H15ClN4O4 and a molecular weight of 410.82 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate
PubChem CID166200703
Molecular FormulaC20H15ClN4O4
Molecular Weight410.82 g/mol
Exact Mass410.08
IUPAC Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate
SMILESCOc1ccc(-c2nc(COC(=O)c3cnnn3-c3ccccc3Cl)co2)cc1
InChIInChI=1S/C20H15ClN4O4/c1-27-15-8-6-13(7-9-15)19-23-14(11-28-19)12-29-20(26)18-10-22-24-25(18)17-5-3-2-4-16(17)21/h2-11H,12H2,1H3
InChIKeyIIVXCGKTKPCWHJ-UHFFFAOYSA-N
XLogP3.94
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate (CID 166200703) is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate is COc1ccc(-c2nc(COC(=O)c3cnnn3-c3ccccc3Cl)co2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate?
The InChIKey is IIVXCGKTKPCWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4/c1-27-15-8-6-13(7-9-15)19-23-14(11-28-19)12-29-20(26)18-10-22-24-25(18)17-5-3-2-4-16(17)21/h2-11H,12H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate?
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate has a molecular weight of 410.82 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate is sourced from PubChem (CID 166200703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).