[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate

C17H10ClF3N2O3 — CID 138465127

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H10ClF3N2O3/c18-12-4-1-10(2-5-12)14-7-13(26-23-14)9-25-16(24)11-3-6-15(22-8-11)17(19,20)21/h1-8H,9H2
InChIKeyWKSUYWREVIPEMX-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.77
Rot. Bonds4

About [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 138465127) has the molecular formula C17H10ClF3N2O3 and a molecular weight of 382.73 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID138465127
Molecular FormulaC17H10ClF3N2O3
Molecular Weight382.73 g/mol
Exact Mass382.03
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H10ClF3N2O3/c18-12-4-1-10(2-5-12)14-7-13(26-23-14)9-25-16(24)11-3-6-15(22-8-11)17(19,20)21/h1-8H,9H2
InChIKeyWKSUYWREVIPEMX-UHFFFAOYSA-N
XLogP4.77
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 46803049
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate
CID 16605188
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
CID 138465283
5-chloro-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]benzamide
CID 46696629
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
butyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 112725076
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate
CID 159586693
1,3-benzothiazol-2-ylmethyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 33167619
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16580286

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate (CID 138465127) is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate is O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is WKSUYWREVIPEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O3/c18-12-4-1-10(2-5-12)14-7-13(26-23-14)9-25-16(24)11-3-6-15(22-8-11)17(19,20)21/h1-8H,9H2.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate?
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 382.73 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 138465127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).