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

C92H67Br2Cl3N8O12 — CID 158954689

IUPAC3-[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
SMILESO=C(CCc1cc(-c2ccc(Br)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2Br)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2Cl)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/2C23H17BrN2O3.C23H16Cl2N2O3.C23H17ClN2O3/c24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19;24-16-7-9-19(20(25)12-16)21-13-18(30-27-21)8-10-22(28)15-6-11-23(26-14-15)29-17-4-2-1-3-5-17;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17/h2*1-10,13-15H,11-12H2;1-7,9,11-14H,8,10H2;1-10,13-15H,11-12H2
InChIKeyJLWARMMJAWGNQB-UHFFFAOYSA-N
MW1742.76 g/mol
LogP24.86
Rot. Bonds28

About 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

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 (PubChem CID 158954689) has the molecular formula C92H67Br2Cl3N8O12 and a molecular weight of 1742.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158954689
Molecular FormulaC92H67Br2Cl3N8O12
Molecular Weight1742.76 g/mol
Exact Mass1738.23
IUPAC Name3-[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
SMILESO=C(CCc1cc(-c2ccc(Br)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2Br)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2Cl)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/2C23H17BrN2O3.C23H16Cl2N2O3.C23H17ClN2O3/c24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19;24-16-7-9-19(20(25)12-16)21-13-18(30-27-21)8-10-22(28)15-6-11-23(26-14-15)29-17-4-2-1-3-5-17;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17/h2*1-10,13-15H,11-12H2;1-7,9,11-14H,8,10H2;1-10,13-15H,11-12H2
InChIKeyJLWARMMJAWGNQB-UHFFFAOYSA-N
XLogP24.86
TPSA260.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.76
LogP ≤ 524.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
CID 158568083
3-[3-(4-Bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one
CID 157123250
[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
3-[3-(2-Bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)
CID 157466910
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-[3-(2-Bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one
CID 157614937
[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-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one
CID 158228177
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 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-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
3-[3-(2-Bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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 160332889

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CCc1cc(-c2ccc(Br)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2Br)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2Cl)no1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 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?
The InChIKey is JLWARMMJAWGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17BrN2O3.C23H16Cl2N2O3.C23H17ClN2O3/c24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19;24-16-7-9-19(20(25)12-16)21-13-18(30-27-21)8-10-22(28)15-6-11-23(26-14-15)29-17-4-2-1-3-5-17;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17/h2*1-10,13-15H,11-12H2;1-7,9,11-14H,8,10H2;1-10,13-15H,11-12H2.
What are the key properties of 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?
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 has a molecular weight of 1742.76 g/mol, XLogP of 24.86, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158954689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).