(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C18H13F3N2O4 — CID 22830958

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H13F3N2O4/c19-18(20,21)13-6-7-16(24)23(9-13)10-17(25)26-11-15-22-8-14(27-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyWUABNQLOTJYCAS-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.27
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 22830958) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID22830958
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H13F3N2O4/c19-18(20,21)13-6-7-16(24)23(9-13)10-17(25)26-11-15-22-8-14(27-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyWUABNQLOTJYCAS-UHFFFAOYSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792309
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835792
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793627
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18231050
[2-(2-acetylanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 42984349
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010875
(5-phenyl-1,3-oxazol-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 30443655
1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 38846288
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18268883
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 22830958) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is O=C(Cn1cc(C(F)(F)F)ccc1=O)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is WUABNQLOTJYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c19-18(20,21)13-6-7-16(24)23(9-13)10-17(25)26-11-15-22-8-14(27-15)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 378.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 22830958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).