2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile

C82H81N9O12 — CID 158405356

About 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 158405356) has the molecular formula C82H81N9O12 and a molecular weight of 1384.60 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

• Compound Name: 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
• PubChem CID: 158405356
• Molecular Formula: C82H81N9O12
• Molecular Weight: 1384.60 g/mol
• Exact Mass: 1383.60
• IUPAC Name: 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
• SMILES: CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4O)o2)cc1C#N.CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC
• InChI: InChI=1S/C24H25N3O3.C22H20N2O3.2C18H18N2O3/c1-15(2)29-22-9-6-16(12-17(22)13-25)24-27-14-23(30-24)20-5-3-4-19-18(20)7-8-21(19)26-10-11-28;1-13(2)26-20-9-6-14(10-15(20)11-23)22-24-12-21(27-22)18-5-3-4-17-16(18)7-8-19(17)25;1-3-21-16-6-5-14(11-18(16)22-4-2)17-12-15(20-23-17)13-7-9-19-10-8-13;1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13/h3-6,9,12,14-15,21,26,28H,7-8,10-11H2,1-2H3;3-6,9-10,12-13,19,25H,7-8H2,1-2H3;2*5-12H,3-4H2,1-2H3
• InChIKey: GYPSYDPQMANHME-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 285.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1384.60
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

The IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 158405356) is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.

What is the SMILES notation for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

The canonical SMILES for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4O)o2)cc1C#N.CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.

What is the InChIKey of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

The InChIKey is GYPSYDPQMANHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.C22H20N2O3.2C18H18N2O3/c1-15(2)29-22-9-6-16(12-17(22)13-25)24-27-14-23(30-24)20-5-3-4-19-18(20)7-8-21(19)26-10-11-28;1-13(2)26-20-9-6-14(10-15(20)11-23)22-24-12-21(27-22)18-5-3-4-17-16(18)7-8-19(17)25;1-3-21-16-6-5-14(11-18(16)22-4-2)17-12-15(20-23-17)13-7-9-19-10-8-13;1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13/h3-6,9,12,14-15,21,26,28H,7-8,10-11H2,1-2H3;3-6,9-10,12-13,19,25H,7-8H2,1-2H3;2*5-12H,3-4H2,1-2H3.

What are the key properties of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 1384.60 g/mol, XLogP of 17.29, 23 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 158405356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).