[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate

C18H11F4NO3 — CID 32644596

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11F4NO3/c19-14-7-3-11(4-8-14)16-23-15(9-25-16)10-26-17(24)12-1-5-13(6-2-12)18(20,21)22/h1-9H,10H2
InChIKeyHAOUUEWOXKSITE-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.86
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate (PubChem CID 32644596) has the molecular formula C18H11F4NO3 and a molecular weight of 365.28 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
PubChem CID32644596
Molecular FormulaC18H11F4NO3
Molecular Weight365.28 g/mol
Exact Mass365.07
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11F4NO3/c19-14-7-3-11(4-8-14)16-23-15(9-25-16)10-26-17(24)12-1-5-13(6-2-12)18(20,21)22/h1-9H,10H2
InChIKeyHAOUUEWOXKSITE-UHFFFAOYSA-N
XLogP4.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl methanesulfonate
CID 22064284
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711
(2-phenyl-1,3-oxazol-4-yl)methyl 4-nitrobenzoate
CID 18126093
(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500587
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
CID 55543565
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
CID 55539141
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55542549

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate (CID 32644596) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate is O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate?
The InChIKey is HAOUUEWOXKSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO3/c19-14-7-3-11(4-8-14)16-23-15(9-25-16)10-26-17(24)12-1-5-13(6-2-12)18(20,21)22/h1-9H,10H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate has a molecular weight of 365.28 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 32644596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).