[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate — IUPAC name, SMILES, InChIKey & properties

Name: [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (PubChem CID 161143098) has the molecular formula C92H69F3N8O18 and a molecular weight of 1631.60 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name	[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
PubChem CID	161143098
Molecular Formula	C92H69F3N8O18
Molecular Weight	1631.60 g/mol
Exact Mass	1630.47
IUPAC Name	[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
SMILES	COc1cccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(Oc3ccccc3)nc2)on1.Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(Oc2ccccc2)nc1
InChI	InChI=1S/C23H15F3N2O4.2C23H18N2O5.C23H18N2O4/c24-23(25,26)19-9-5-4-8-18(19)20-12-17(32-28-20)14-30-22(29)15-10-11-21(27-13-15)31-16-6-2-1-3-7-16;1-27-19-9-5-6-16(12-19)21-13-20(30-25-21)15-28-23(26)17-10-11-22(24-14-17)29-18-7-3-2-4-8-18;1-27-21-10-6-5-9-19(21)20-13-18(30-25-20)15-28-23(26)16-11-12-22(24-14-16)29-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)21-13-20(29-25-21)15-27-23(26)18-11-12-22(24-14-18)28-19-5-3-2-4-6-19/h1-13H,14H2;2*2-14H,15H2,1H3;2-14H,15H2,1H3
InChIKey	UNRYDONIFKIHGR-UHFFFAOYSA-N
XLogP	20.89
TPSA	316.26 Å²
H-Bond Donors
H-Bond Acceptors	26
Rotatable Bonds	26
Heavy Atoms	121
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.60
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Analyze [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

The IUPAC name of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (CID 161143098) is [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

What is the SMILES notation for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

The canonical SMILES for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is COc1cccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(Oc3ccccc3)nc2)on1.Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(Oc2ccccc2)nc1.

What is the InChIKey of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

The InChIKey is UNRYDONIFKIHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O4.2C23H18N2O5.C23H18N2O4/c24-23(25,26)19-9-5-4-8-18(19)20-12-17(32-28-20)14-30-22(29)15-10-11-21(27-13-15)31-16-6-2-1-3-7-16;1-27-19-9-5-6-16(12-19)21-13-20(30-25-21)15-28-23(26)17-10-11-22(24-14-17)29-18-7-3-2-4-8-18;1-27-21-10-6-5-9-19(21)20-13-18(30-25-20)15-28-23(26)16-11-12-22(24-14-16)29-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)21-13-20(29-25-21)15-27-23(26)18-11-12-22(24-14-18)28-19-5-3-2-4-6-19/h1-13H,14H2;2*2-14H,15H2,1H3;2-14H,15H2,1H3.

What are the key properties of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?

Where does this data come from?

All data for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 161143098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).