N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine

C159H104Cl3F2N37O8 — CID 157240613

About N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine (PubChem CID 157240613) has the molecular formula C159H104Cl3F2N37O8 and a molecular weight of 2805.19 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine
• PubChem CID: 157240613
• Molecular Formula: C159H104Cl3F2N37O8
• Molecular Weight: 2805.19 g/mol
• Exact Mass: 2801.79
• IUPAC Name: N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine
• SMILES: Clc1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1.Clc1cccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)c1.Clc1cccc(Nc2nccc(-c3ccc4noc(-c5ccncn5)c4c3)n2)c1.Fc1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1.Fc1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1.c1ccc(COc2cccc(Nc3nccc(-c4ccc5noc(-c6cccnc6)c5c4)n3)c2)cc1.c1cncc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)c1
• InChI: InChI=1S/C29H21N5O2.2C22H14ClN5O.2C22H14FN5O.C21H13ClN6O.C21H14N6O/c1-2-6-20(7-3-1)19-35-24-10-4-9-23(17-24)32-29-31-15-13-26(33-29)21-11-12-27-25(16-21)28(36-34-27)22-8-5-14-30-18-22;23-16-4-1-5-17(12-16)26-22-25-10-8-19(27-22)14-6-7-20-18(11-14)21(29-28-20)15-3-2-9-24-13-15;3*23-16-4-6-17(7-5-16)26-22-25-11-9-19(27-22)14-3-8-20-18(12-14)21(29-28-20)15-2-1-10-24-13-15;22-14-2-1-3-15(11-14)26-21-24-9-7-17(27-21)13-4-5-18-16(10-13)20(29-28-18)19-6-8-23-12-25-19;1-3-15(12-22-8-1)20-17-11-14(5-6-19(17)27-28-20)18-7-10-24-21(26-18)25-16-4-2-9-23-13-16/h1-18H,19H2,(H,31,32,33);4*1-13H,(H,25,26,27);1-12H,(H,24,26,27);1-13H,(H,24,25,26)
• InChIKey: AVEAMOFZARMYJW-UHFFFAOYSA-N
• XLogP: 38.24
• TPSA: 572.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 31
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2805.19
LogP ≤ 5	38.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

The IUPAC name of N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine (CID 157240613) is N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine.

What is the SMILES notation for N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

The canonical SMILES for N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine is Clc1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1.Clc1cccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)c1.Clc1cccc(Nc2nccc(-c3ccc4noc(-c5ccncn5)c4c3)n2)c1.Fc1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1.Fc1ccc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)cc1.c1ccc(COc2cccc(Nc3nccc(-c4ccc5noc(-c6cccnc6)c5c4)n3)c2)cc1.c1cncc(Nc2nccc(-c3ccc4noc(-c5cccnc5)c4c3)n2)c1.

What is the InChIKey of N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

The InChIKey is AVEAMOFZARMYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O2.2C22H14ClN5O.2C22H14FN5O.C21H13ClN6O.C21H14N6O/c1-2-6-20(7-3-1)19-35-24-10-4-9-23(17-24)32-29-31-15-13-26(33-29)21-11-12-27-25(16-21)28(36-34-27)22-8-5-14-30-18-22;23-16-4-1-5-17(12-16)26-22-25-10-8-19(27-22)14-6-7-20-18(11-14)21(29-28-20)15-3-2-9-24-13-15;3*23-16-4-6-17(7-5-16)26-22-25-11-9-19(27-22)14-3-8-20-18(12-14)21(29-28-20)15-2-1-10-24-13-15;22-14-2-1-3-15(11-14)26-21-24-9-7-17(27-21)13-4-5-18-16(10-13)20(29-28-18)19-6-8-23-12-25-19;1-3-15(12-22-8-1)20-17-11-14(5-6-19(17)27-28-20)18-7-10-24-21(26-18)25-16-4-2-9-23-13-16/h1-18H,19H2,(H,31,32,33);4*1-13H,(H,25,26,27);1-12H,(H,24,26,27);1-13H,(H,24,25,26).

What are the key properties of N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine?

N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine has a molecular weight of 2805.19 g/mol, XLogP of 38.24, 31 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(4-chlorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-(3-chlorophenyl)-4-(3-pyrimidin-4-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;bis(N-(4-fluorophenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine);N-(3-phenylmethoxyphenyl)-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine;N-pyridin-3-yl-4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 157240613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).