1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea

C146H134ClF3N34O16S2 — CID 162185995

About 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea

1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea (PubChem CID 162185995) has the molecular formula C146H134ClF3N34O16S2 and a molecular weight of 2777.48 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea
• PubChem CID: 162185995
• Molecular Formula: C146H134ClF3N34O16S2
• Molecular Weight: 2777.48 g/mol
• Exact Mass: 2774.98
• IUPAC Name: 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea
• SMILES: CCOC(=O)c1cnc2cc(OC)ccc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1.COc1cc2ncnc(N(C)CCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC.COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c2cc1OC.Cc1nc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1.O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3oc(-c4ccccc4)nc23)s1.O=C(Nc1cccc(F)c1)Nc1ncc(CCNc2ncnc3oc(-c4ccccc4)nc23)s1
• InChI: InChI=1S/C28H28N4O4.C26H27N5O3.C25H23F2N5O3.C23H18ClN7O2S.C23H18FN7O2S.C21H20N6O2/c1-3-36-27(33)24-18-30-25-17-22(35-2)13-14-23(25)26(24)29-16-15-19-9-11-21(12-10-19)32-28(34)31-20-7-5-4-6-8-20;1-31(25-21-15-23(33-2)24(34-3)16-22(21)27-17-28-25)14-13-18-9-11-20(12-10-18)30-26(32)29-19-7-5-4-6-8-19;1-34-22-12-20-21(13-23(22)35-2)29-14-30-24(20)28-8-7-15-3-5-18(6-4-15)31-25(33)32-19-10-16(26)9-17(27)11-19;2*24-15-7-4-8-16(11-15)29-22(32)31-23-26-12-17(34-23)9-10-25-19-18-21(28-13-27-19)33-20(30-18)14-5-2-1-3-6-14;1-14-25-18-19(23-13-24-20(18)29-14)22-12-11-15-7-9-17(10-8-15)27-21(28)26-16-5-3-2-4-6-16/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,30)(H2,31,32,34);4-12,15-17H,13-14H2,1-3H3,(H2,29,30,32);3-6,9-14H,7-8H2,1-2H3,(H,28,29,30)(H2,31,32,33);2*1-8,11-13H,9-10H2,(H,25,27,28)(H2,26,29,31,32);2-10,13H,11-12H2,1H3,(H,22,23,24)(H2,26,27,28)
• InChIKey: ZPQVKOKQTCYEID-UHFFFAOYSA-N
• XLogP: 31.01
• TPSA: 628.28 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 40
• Rotatable Bonds: 45
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2777.48
LogP ≤ 5	31.01
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea?

The IUPAC name of 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea (CID 162185995) is 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea.

What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea?

The canonical SMILES for 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea is CCOC(=O)c1cnc2cc(OC)ccc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1.COc1cc2ncnc(N(C)CCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC.COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c2cc1OC.Cc1nc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1.O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3oc(-c4ccccc4)nc23)s1.O=C(Nc1cccc(F)c1)Nc1ncc(CCNc2ncnc3oc(-c4ccccc4)nc23)s1.

What is the InChIKey of 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea?

The InChIKey is ZPQVKOKQTCYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4.C26H27N5O3.C25H23F2N5O3.C23H18ClN7O2S.C23H18FN7O2S.C21H20N6O2/c1-3-36-27(33)24-18-30-25-17-22(35-2)13-14-23(25)26(24)29-16-15-19-9-11-21(12-10-19)32-28(34)31-20-7-5-4-6-8-20;1-31(25-21-15-23(33-2)24(34-3)16-22(21)27-17-28-25)14-13-18-9-11-20(12-10-18)30-26(32)29-19-7-5-4-6-8-19;1-34-22-12-20-21(13-23(22)35-2)29-14-30-24(20)28-8-7-15-3-5-18(6-4-15)31-25(33)32-19-10-16(26)9-17(27)11-19;2*24-15-7-4-8-16(11-15)29-22(32)31-23-26-12-17(34-23)9-10-25-19-18-21(28-13-27-19)33-20(30-18)14-5-2-1-3-6-14;1-14-25-18-19(23-13-24-20(18)29-14)22-12-11-15-7-9-17(10-8-15)27-21(28)26-16-5-3-2-4-6-16/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,30)(H2,31,32,34);4-12,15-17H,13-14H2,1-3H3,(H2,29,30,32);3-6,9-14H,7-8H2,1-2H3,(H,28,29,30)(H2,31,32,33);2*1-8,11-13H,9-10H2,(H,25,27,28)(H2,26,29,31,32);2-10,13H,11-12H2,1H3,(H,22,23,24)(H2,26,27,28).

What are the key properties of 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea?

1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea has a molecular weight of 2777.48 g/mol, XLogP of 31.01, 45 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 162185995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).