ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate

C19H14F3NO4 — CID 44819890

IUPACethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3c(F)ccc(F)c3F)c2)on1
InChIInChI=1S/C19H14F3NO4/c1-2-25-19(24)16-9-17(27-23-16)11-4-3-5-12(8-11)26-10-13-14(20)6-7-15(21)18(13)22/h3-9H,2,10H2,1H3
InChIKeyWNSXPWXQIFYVPH-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.51
Rot. Bonds6

About ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44819890) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
PubChem CID44819890
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Nameethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3c(F)ccc(F)c3F)c2)on1
InChIInChI=1S/C19H14F3NO4/c1-2-25-19(24)16-9-17(27-23-16)11-4-3-5-12(8-11)26-10-13-14(20)6-7-15(21)18(13)22/h3-9H,2,10H2,1H3
InChIKeyWNSXPWXQIFYVPH-UHFFFAOYSA-N
XLogP4.51
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819362
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
CID 44818827
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
3-[(2,3,6-trifluorophenyl)methoxy]benzamide
CID 69123710
ethyl 5-(2,6-dichloro-3-fluorophenyl)-1,2-oxazole-3-carboxylate
CID 154791538
ethyl 5-[[3-(trifluoromethylsulfanyl)phenoxy]methyl]-1,2-oxazole-3-carboxylate
CID 90325851
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
ethyl 5-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-1,2-oxazole-3-carboxylate
CID 44546988
ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate
CID 146229751
ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
CID 168876067
ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
CID 154791696

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (CID 44819890) is ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OCc3c(F)ccc(F)c3F)c2)on1.
What is the InChIKey of ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is WNSXPWXQIFYVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-2-25-19(24)16-9-17(27-23-16)11-4-3-5-12(8-11)26-10-13-14(20)6-7-15(21)18(13)22/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 377.32 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44819890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).