5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

C18H14F3NO4 — CID 56943132

IUPAC5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2cc(F)c(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C18H14F3NO4/c1-23-14-4-9(5-15(24-2)18(14)25-3)16-17(26-8-22-16)10-6-12(20)13(21)7-11(10)19/h4-8H,1-3H3
InChIKeyMCPKPMMBWGHYGW-UHFFFAOYSA-N
MW365.31 g/mol
LogP4.45
Rot. Bonds5

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

5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 56943132) has the molecular formula C18H14F3NO4 and a molecular weight of 365.31 g/mol. Its IUPAC name is 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID56943132
Molecular FormulaC18H14F3NO4
Molecular Weight365.31 g/mol
Exact Mass365.09
IUPAC Name5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2cc(F)c(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C18H14F3NO4/c1-23-14-4-9(5-15(24-2)18(14)25-3)16-17(26-8-22-16)10-6-12(20)13(21)7-11(10)19/h4-8H,1-3H3
InChIKeyMCPKPMMBWGHYGW-UHFFFAOYSA-N
XLogP4.45
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 56943132) is 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2ncoc2-c2cc(F)c(F)cc2F)cc(OC)c1OC.
What is the InChIKey of 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is MCPKPMMBWGHYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO4/c1-23-14-4-9(5-15(24-2)18(14)25-3)16-17(26-8-22-16)10-6-12(20)13(21)7-11(10)19/h4-8H,1-3H3.
What are the key properties of 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 365.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56943132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).