4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene

C121H101Cl5N10O5 — CID 158154417

About 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene

4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene (PubChem CID 158154417) has the molecular formula C121H101Cl5N10O5 and a molecular weight of 1952.47 g/mol. Its IUPAC name is 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene.

Molecular Properties

• Compound Name: 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene
• PubChem CID: 158154417
• Molecular Formula: C121H101Cl5N10O5
• Molecular Weight: 1952.47 g/mol
• Exact Mass: 1948.64
• IUPAC Name: 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene
• SMILES: CCN(CC)c1ccc(-c2nc(-c3ccc(Cl)cc3)oc2-c2ccccc2Cl)cc1.CCN(CC)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)oc2-c2ccccc2Cl)cc1.CN(C)c1ccc(-c2nc(-c3ccc(Cl)cc3)oc2-c2ccc(Cl)cc2)cc1.CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1.c1ccc(-c2nc3c4cccc5ccc6cccc(c3o2)c6c54)cc1
• InChI: InChI=1S/C27H28ClN3O.C25H22Cl2N2O.C23H18Cl2N2O.C23H20N2O.C23H13NO/c1-5-31(6-2)22-17-11-19(12-18-22)25-26(23-9-7-8-10-24(23)28)32-27(29-25)20-13-15-21(16-14-20)30(3)4;1-3-29(4-2)20-15-11-17(12-16-20)23-24(21-7-5-6-8-22(21)27)30-25(28-23)18-9-13-19(26)14-10-18;1-27(2)20-13-7-15(8-14-20)21-22(16-3-9-18(24)10-4-16)28-23(26-21)17-5-11-19(25)12-6-17;1-25(2)20-15-13-19(14-16-20)23-24-21(17-9-5-3-6-10-17)22(26-23)18-11-7-4-8-12-18;1-2-6-16(7-3-1)23-24-21-17-10-4-8-14-12-13-15-9-5-11-18(22(21)25-23)20(15)19(14)17/h7-18H,5-6H2,1-4H3;5-16H,3-4H2,1-2H3;3-14H,1-2H3;3-16H,1-2H3;1-13H
• InChIKey: FVMSJVBDFFZTCN-UHFFFAOYSA-N
• XLogP: 34.25
• TPSA: 146.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1952.47
LogP ≤ 5	34.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

The IUPAC name of 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene (CID 158154417) is 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene.

What is the SMILES notation for 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

The canonical SMILES for 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene is CCN(CC)c1ccc(-c2nc(-c3ccc(Cl)cc3)oc2-c2ccccc2Cl)cc1.CCN(CC)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)oc2-c2ccccc2Cl)cc1.CN(C)c1ccc(-c2nc(-c3ccc(Cl)cc3)oc2-c2ccc(Cl)cc2)cc1.CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1.c1ccc(-c2nc3c4cccc5ccc6cccc(c3o2)c6c54)cc1.

What is the InChIKey of 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

The InChIKey is FVMSJVBDFFZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O.C25H22Cl2N2O.C23H18Cl2N2O.C23H20N2O.C23H13NO/c1-5-31(6-2)22-17-11-19(12-18-22)25-26(23-9-7-8-10-24(23)28)32-27(29-25)20-13-15-21(16-14-20)30(3)4;1-3-29(4-2)20-15-11-17(12-16-20)23-24(21-7-5-6-8-22(21)27)30-25(28-23)18-9-13-19(26)14-10-18;1-27(2)20-13-7-15(8-14-20)21-22(16-3-9-18(24)10-4-16)28-23(26-21)17-5-11-19(25)12-6-17;1-25(2)20-15-13-19(14-16-20)23-24-21(17-9-5-3-6-10-17)22(26-23)18-11-7-4-8-12-18;1-2-6-16(7-3-1)23-24-21-17-10-4-8-14-12-13-15-9-5-11-18(22(21)25-23)20(15)19(14)17/h7-18H,5-6H2,1-4H3;5-16H,3-4H2,1-2H3;3-14H,1-2H3;3-16H,1-2H3;1-13H.

What are the key properties of 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene has a molecular weight of 1952.47 g/mol, XLogP of 34.25, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,5-bis(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylaniline;4-[5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N,N-diethylaniline;4-[5-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-N,N-diethylaniline;4-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylaniline;4-phenyl-3-oxa-5-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene is sourced from PubChem (CID 158154417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).