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

C15H17NO6 — CID 44557879

IUPACmethyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)oc1C
InChIInChI=1S/C15H17NO6/c1-8-12(15(17)21-5)16-14(22-8)9-6-10(18-2)13(20-4)11(7-9)19-3/h6-7H,1-5H3
InChIKeyUKSCVKUYNJKJLK-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.46
Rot. Bonds5

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

methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 44557879) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID44557879
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Namemethyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)oc1C
InChIInChI=1S/C15H17NO6/c1-8-12(15(17)21-5)16-14(22-8)9-6-10(18-2)13(20-4)11(7-9)19-3/h6-7H,1-5H3
InChIKeyUKSCVKUYNJKJLK-UHFFFAOYSA-N
XLogP2.46
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate (CID 44557879) is methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)oc1C.
What is the InChIKey of methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is UKSCVKUYNJKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-8-12(15(17)21-5)16-14(22-8)9-6-10(18-2)13(20-4)11(7-9)19-3/h6-7H,1-5H3.
What are the key properties of methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 307.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 44557879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).