[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate

C24H23FN4O4 — CID 27372732

IUPAC[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate
SMILESCCOc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)c(C)o1
InChIInChI=1S/C24H23FN4O4/c1-5-31-21-9-7-6-8-18(21)23-26-20(16(4)33-23)13-32-24(30)22-15(3)29(28-27-22)17-11-10-14(2)19(25)12-17/h6-12H,5,13H2,1-4H3
InChIKeyWUEBJGVBWKPFOK-UHFFFAOYSA-N
MW450.47 g/mol
LogP4.74
Rot. Bonds7

About [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate

[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate (PubChem CID 27372732) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate
PubChem CID27372732
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate
SMILESCCOc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)c(C)o1
InChIInChI=1S/C24H23FN4O4/c1-5-31-21-9-7-6-8-18(21)23-26-20(16(4)33-23)13-32-24(30)22-15(3)29(28-27-22)17-11-10-14(2)19(25)12-17/h6-12H,5,13H2,1-4H3
InChIKeyWUEBJGVBWKPFOK-UHFFFAOYSA-N
XLogP4.74
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate?
The IUPAC name of [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate (CID 27372732) is [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate.
What is the SMILES notation for [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate?
The canonical SMILES for [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate is CCOc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)c(C)o1.
What is the InChIKey of [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate?
The InChIKey is WUEBJGVBWKPFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-5-31-21-9-7-6-8-18(21)23-26-20(16(4)33-23)13-32-24(30)22-15(3)29(28-27-22)17-11-10-14(2)19(25)12-17/h6-12H,5,13H2,1-4H3.
What are the key properties of [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate?
[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxylate is sourced from PubChem (CID 27372732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).