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

C12H11NO4 — CID 752781

IUPACmethyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C12H11NO4/c1-15-9-5-3-8(4-6-9)11-7-10(13-17-11)12(14)16-2/h3-7H,1-2H3
InChIKeyLSTUYMFZYOAFGT-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.14
Rot. Bonds3

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

methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 752781) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
PubChem CID752781
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C12H11NO4/c1-15-9-5-3-8(4-6-9)11-7-10(13-17-11)12(14)16-2/h3-7H,1-2H3
InChIKeyLSTUYMFZYOAFGT-UHFFFAOYSA-N
XLogP2.14
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate (CID 752781) is methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is LSTUYMFZYOAFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-15-9-5-3-8(4-6-9)11-7-10(13-17-11)12(14)16-2/h3-7H,1-2H3.
What are the key properties of methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 752781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).