5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole

C14H14F3NO5 — CID 822891

IUPAC5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2nc(C(F)(F)F)c(OC)o2)cc(OC)c1OC
InChIInChI=1S/C14H14F3NO5/c1-19-8-5-7(6-9(20-2)10(8)21-3)12-18-11(14(15,16)17)13(22-4)23-12/h5-6H,1-4H3
InChIKeyZIPJQDDBUWWFOQ-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.39
Rot. Bonds5

About 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole

5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 822891) has the molecular formula C14H14F3NO5 and a molecular weight of 333.26 g/mol. Its IUPAC name is 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID822891
Molecular FormulaC14H14F3NO5
Molecular Weight333.26 g/mol
Exact Mass333.08
IUPAC Name5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2nc(C(F)(F)F)c(OC)o2)cc(OC)c1OC
InChIInChI=1S/C14H14F3NO5/c1-19-8-5-7(6-9(20-2)10(8)21-3)12-18-11(14(15,16)17)13(22-4)23-12/h5-6H,1-4H3
InChIKeyZIPJQDDBUWWFOQ-UHFFFAOYSA-N
XLogP3.39
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 822891) is 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2nc(C(F)(F)F)c(OC)o2)cc(OC)c1OC.
What is the InChIKey of 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is ZIPJQDDBUWWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO5/c1-19-8-5-7(6-9(20-2)10(8)21-3)12-18-11(14(15,16)17)13(22-4)23-12/h5-6H,1-4H3.
What are the key properties of 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 333.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 822891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).