[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

C116H106F6N12O21 — CID 159586691

IUPAC[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
SMILESCOc1ccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)cc1.COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2C)on1.Cc1cc(C)c(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c(C)c1.Cc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3C(F)(F)F)no2)c(C)n1
InChIInChI=1S/C21H22N2O3.2C19H15F3N2O3.3C19H18N2O4/c1-12-8-13(2)20(14(3)9-12)19-10-17(26-23-19)11-25-21(24)18-7-6-15(4)22-16(18)5;1-11-3-8-16(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;1-11-7-8-14(12(2)23-11)18(25)26-10-13-9-17(24-27-13)15-5-3-4-6-16(15)19(20,21)22;1-12-4-9-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-7-15(23-3)8-6-14;1-12-7-8-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-4-6-15(9-14)23-3;1-12-8-9-15(13(2)20-12)19(22)24-11-14-10-17(21-25-14)16-6-4-5-7-18(16)23-3/h6-10H,11H2,1-5H3;2*3-9H,10H2,1-2H3;3*4-10H,11H2,1-3H3
InChIKeyMJSBBVDQCUFGOD-UHFFFAOYSA-N
MW2118.17 g/mol
LogP25.25
Rot. Bonds27

About [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

[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 (PubChem CID 159586691) has the molecular formula C116H106F6N12O21 and a molecular weight of 2118.17 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159586691
Molecular FormulaC116H106F6N12O21
Molecular Weight2118.17 g/mol
Exact Mass2116.75
IUPAC Name[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
SMILESCOc1ccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)cc1.COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2C)on1.Cc1cc(C)c(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c(C)c1.Cc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3C(F)(F)F)no2)c(C)n1
InChIInChI=1S/C21H22N2O3.2C19H15F3N2O3.3C19H18N2O4/c1-12-8-13(2)20(14(3)9-12)19-10-17(26-23-19)11-25-21(24)18-7-6-15(4)22-16(18)5;1-11-3-8-16(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;1-11-7-8-14(12(2)23-11)18(25)26-10-13-9-17(24-27-13)15-5-3-4-6-16(15)19(20,21)22;1-12-4-9-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-7-15(23-3)8-6-14;1-12-7-8-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-4-6-15(9-14)23-3;1-12-8-9-15(13(2)20-12)19(22)24-11-14-10-17(21-25-14)16-6-4-5-7-18(16)23-3/h6-10H,11H2,1-5H3;2*3-9H,10H2,1-2H3;3*4-10H,11H2,1-3H3
InChIKeyMJSBBVDQCUFGOD-UHFFFAOYSA-N
XLogP25.25
TPSA419.01 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.17
LogP ≤ 525.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate
CID 159586693
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,3-dimethoxybenzoate
CID 17482588
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 4-(trifluoromethyl)quinoline-3-carboxylate
CID 24631173
[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethoxybenzoate
CID 46856576
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-nitrobenzoate
CID 24585172
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
methyl 4-[5-[[2-(4-methoxyphenyl)phenoxy]methyl]-1,2-oxazol-3-yl]benzoate
CID 134847157
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16580445
5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 14674320
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485514

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)cc1.COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2C)on1.Cc1cc(C)c(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c(C)c1.Cc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3C(F)(F)F)no2)c(C)n1.
What is the InChIKey of [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?
The InChIKey is MJSBBVDQCUFGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.2C19H15F3N2O3.3C19H18N2O4/c1-12-8-13(2)20(14(3)9-12)19-10-17(26-23-19)11-25-21(24)18-7-6-15(4)22-16(18)5;1-11-3-8-16(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;1-11-7-8-14(12(2)23-11)18(25)26-10-13-9-17(24-27-13)15-5-3-4-6-16(15)19(20,21)22;1-12-4-9-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-7-15(23-3)8-6-14;1-12-7-8-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-4-6-15(9-14)23-3;1-12-8-9-15(13(2)20-12)19(22)24-11-14-10-17(21-25-14)16-6-4-5-7-18(16)23-3/h6-10H,11H2,1-5H3;2*3-9H,10H2,1-2H3;3*4-10H,11H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 2118.17 g/mol, XLogP of 25.25, 27 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159586691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).