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

C19H15F3N2O3 — CID 159586693

IUPAC[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1
InChIInChI=1S/C19H15F3N2O3/c1-11-3-8-16(12(2)23-11)18(25)26-10-15-9-17(24-27-15)13-4-6-14(7-5-13)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyXTENLOIEVCYFGD-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.73
Rot. Bonds4

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

[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate (PubChem CID 159586693) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate
PubChem CID159586693
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1
InChIInChI=1S/C19H15F3N2O3/c1-11-3-8-16(12(2)23-11)18(25)26-10-15-9-17(24-27-15)13-4-6-14(7-5-13)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyXTENLOIEVCYFGD-UHFFFAOYSA-N
XLogP4.73
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate
CID 159586691
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,3-dimethoxybenzoate
CID 17482588
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16580445
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
ethyl 2-amino-4-[4-(trifluoromethyl)phenyl]benzoate
CID 134624138
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 138465127
2-[2-methyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methylsulfanyl]phenoxy]acetate
CID 142816017
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(trifluoromethyl)benzoate
CID 46519572
CID 74539384
CID 74539384
(3-phenyl-1,2-oxazol-5-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 37135590

Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate (CID 159586693) is [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate is Cc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1.
What is the InChIKey of [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate?
The InChIKey is XTENLOIEVCYFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-11-3-8-16(12(2)23-11)18(25)26-10-15-9-17(24-27-15)13-4-6-14(7-5-13)19(20,21)22/h3-9H,10H2,1-2H3.
What are the key properties of [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate?
[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate has a molecular weight of 376.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 159586693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).