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

C13H10F3NO4 — CID 141273710

IUPACmethyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2)oc1C(F)(F)F
InChIInChI=1S/C13H10F3NO4/c1-19-8-5-3-7(4-6-8)11-17-9(12(18)20-2)10(21-11)13(14,15)16/h3-6H,1-2H3
InChIKeyVYSUYXUBJNTATO-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.16
Rot. Bonds3

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

methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (PubChem CID 141273710) has the molecular formula C13H10F3NO4 and a molecular weight of 301.22 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
PubChem CID141273710
Molecular FormulaC13H10F3NO4
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC Namemethyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2)oc1C(F)(F)F
InChIInChI=1S/C13H10F3NO4/c1-19-8-5-3-7(4-6-8)11-17-9(12(18)20-2)10(21-11)13(14,15)16/h3-6H,1-2H3
InChIKeyVYSUYXUBJNTATO-UHFFFAOYSA-N
XLogP3.16
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (CID 141273710) is methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2ccc(OC)cc2)oc1C(F)(F)F.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is VYSUYXUBJNTATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4/c1-19-8-5-3-7(4-6-8)11-17-9(12(18)20-2)10(21-11)13(14,15)16/h3-6H,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 301.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 141273710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).