3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

C83H78N8O10 — CID 157424815

IUPAC3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
SMILESCC(C)(C)c1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cccnc3)on2)c(C)c1.Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1
InChIInChI=1S/C23H18N2O4.C21H22N2O2.C20H20N2O2.C19H18N2O2/c1-16-7-9-17(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;1-21(2,3)17-8-6-15(7-9-17)19-13-18(25-23-19)10-11-20(24)16-5-4-12-22-14-16;1-13-9-14(2)20(15(3)10-13)18-11-17(24-22-18)6-7-19(23)16-5-4-8-21-12-16;1-2-14-5-7-15(8-6-14)18-12-17(23-21-18)9-10-19(22)16-4-3-11-20-13-16/h2-14H,15H2,1H3;4-9,12-14H,10-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;3-8,11-13H,2,9-10H2,1H3
InChIKeyBPVJEEJZJGHHDU-UHFFFAOYSA-N
MW1347.58 g/mol
LogP18.64
Rot. Bonds22

About 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 157424815) has the molecular formula C83H78N8O10 and a molecular weight of 1347.58 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
PubChem CID157424815
Molecular FormulaC83H78N8O10
Molecular Weight1347.58 g/mol
Exact Mass1346.58
IUPAC Name3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
SMILESCC(C)(C)c1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cccnc3)on2)c(C)c1.Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1
InChIInChI=1S/C23H18N2O4.C21H22N2O2.C20H20N2O2.C19H18N2O2/c1-16-7-9-17(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;1-21(2,3)17-8-6-15(7-9-17)19-13-18(25-23-19)10-11-20(24)16-5-4-12-22-14-16;1-13-9-14(2)20(15(3)10-13)18-11-17(24-22-18)6-7-19(23)16-5-4-8-21-12-16;1-2-14-5-7-15(8-6-14)18-12-17(23-21-18)9-10-19(22)16-4-3-11-20-13-16/h2-14H,15H2,1H3;4-9,12-14H,10-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;3-8,11-13H,2,9-10H2,1H3
InChIKeyBPVJEEJZJGHHDU-UHFFFAOYSA-N
XLogP18.64
TPSA242.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.58
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?
The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (CID 157424815) is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is CC(C)(C)c1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cccnc3)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cccnc3)on2)c(C)c1.Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?
The InChIKey is BPVJEEJZJGHHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4.C21H22N2O2.C20H20N2O2.C19H18N2O2/c1-16-7-9-17(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;1-21(2,3)17-8-6-15(7-9-17)19-13-18(25-23-19)10-11-20(24)16-5-4-12-22-14-16;1-13-9-14(2)20(15(3)10-13)18-11-17(24-22-18)6-7-19(23)16-5-4-8-21-12-16;1-2-14-5-7-15(8-6-14)18-12-17(23-21-18)9-10-19(22)16-4-3-11-20-13-16/h2-14H,15H2,1H3;4-9,12-14H,10-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;3-8,11-13H,2,9-10H2,1H3.
What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?
3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1347.58 g/mol, XLogP of 18.64, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;1-pyridin-3-yl-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 157424815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).