[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

C88H59Br3Cl2N8O16 — CID 157372720

IUPAC[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Br)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccc(Cl)cc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2cccc(Br)c2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccccc2Br)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/3C22H15BrN2O4.C22H14Cl2N2O4/c23-17-6-4-5-15(11-17)20-12-19(29-25-20)14-27-22(26)16-9-10-21(24-13-16)28-18-7-2-1-3-8-18;23-19-9-5-4-8-18(19)20-12-17(29-25-20)14-27-22(26)15-10-11-21(24-13-15)28-16-6-2-1-3-7-16;23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18;23-15-7-8-18(19(24)10-15)20-11-17(30-26-20)13-28-22(27)14-6-9-21(25-12-14)29-16-4-2-1-3-5-16/h3*1-13H,14H2;1-12H,13H2
InChIKeyBJYLUUPZLYYCHO-UHFFFAOYSA-N
MW1795.10 g/mol
LogP23.14
Rot. Bonds24

About [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (PubChem CID 157372720) has the molecular formula C88H59Br3Cl2N8O16 and a molecular weight of 1795.10 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
PubChem CID157372720
Molecular FormulaC88H59Br3Cl2N8O16
Molecular Weight1795.10 g/mol
Exact Mass1790.10
IUPAC Name[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Br)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccc(Cl)cc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2cccc(Br)c2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccccc2Br)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/3C22H15BrN2O4.C22H14Cl2N2O4/c23-17-6-4-5-15(11-17)20-12-19(29-25-20)14-27-22(26)16-9-10-21(24-13-16)28-18-7-2-1-3-8-18;23-19-9-5-4-8-18(19)20-12-17(29-25-20)14-27-22(26)15-10-11-21(24-13-15)28-16-6-2-1-3-7-16;23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18;23-15-7-8-18(19(24)10-15)20-11-17(30-26-20)13-28-22(27)14-6-9-21(25-12-14)29-16-4-2-1-3-5-16/h3*1-13H,14H2;1-12H,13H2
InChIKeyBJYLUUPZLYYCHO-UHFFFAOYSA-N
XLogP23.14
TPSA297.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.10
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate with MolForge

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Related Compounds

[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate)
CID 157393697
3-[3-(2-Bromophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one
CID 157564484
[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
CID 158011458
[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate)
CID 158033238
[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 158081150
3-[3-(2-Bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 158586785
[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 158703600
3-[3-(2-Bromophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one
CID 158954689
[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate
CID 159051167
[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate
CID 159117771
[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate
CID 159510920
[3-(2-Chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
CID 159790170

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (CID 157372720) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The canonical SMILES for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is O=C(OCc1cc(-c2ccc(Br)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccc(Cl)cc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2cccc(Br)c2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccccc2Br)no1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The InChIKey is BJYLUUPZLYYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H15BrN2O4.C22H14Cl2N2O4/c23-17-6-4-5-15(11-17)20-12-19(29-25-20)14-27-22(26)16-9-10-21(24-13-16)28-18-7-2-1-3-8-18;23-19-9-5-4-8-18(19)20-12-17(29-25-20)14-27-22(26)15-10-11-21(24-13-15)28-16-6-2-1-3-7-16;23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18;23-15-7-8-18(19(24)10-15)20-11-17(30-26-20)13-28-22(27)14-6-9-21(25-12-14)29-16-4-2-1-3-5-16/h3*1-13H,14H2;1-12H,13H2.
What are the key properties of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate has a molecular weight of 1795.10 g/mol, XLogP of 23.14, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 157372720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).