2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole

C130H87N21O5 — CID 158210118

IUPAC2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2ccccc2o1.c1ccc(-n2c(-c3cccnc3-c3ncccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cncc(-c4cncc(-c5nc6ccccc6n5-c5ccccc5)c4)c3)nc3ccccc32)cc1.c1ccc2oc(-c3cncc(-c4cncc(-c5nc6ccccc6o5)c4)c3)nc2c1.c1cnc(-c2ncccc2-c2nc3ccccc3o2)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/2C36H24N6.2C24H14N4O2.C10H11NO/c1-3-13-25(14-4-1)41-31-21-9-7-19-29(31)39-35(41)27-17-11-23-37-33(27)34-28(18-12-24-38-34)36-40-30-20-8-10-22-32(30)42(36)26-15-5-2-6-16-26;1-3-11-29(12-4-1)41-33-17-9-7-15-31(33)39-35(41)27-19-25(21-37-23-27)26-20-28(24-38-22-26)36-40-32-16-8-10-18-34(32)42(36)30-13-5-2-6-14-30;1-3-11-19-17(9-1)27-23(29-19)15-7-5-13-25-21(15)22-16(8-6-14-26-22)24-28-18-10-2-4-12-20(18)30-24;1-3-7-21-19(5-1)27-23(29-21)17-9-15(11-25-13-17)16-10-18(14-26-12-16)24-28-20-6-2-4-8-22(20)30-24;1-7(2)10-11-8-5-3-4-6-9(8)12-10/h2*1-24H;2*1-14H;3-7H,1-2H3
InChIKeyGBYWQYFIVKEAOY-UHFFFAOYSA-N
MW2023.27 g/mol
LogP30.78
Rot. Bonds17

About 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole

2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole (PubChem CID 158210118) has the molecular formula C130H87N21O5 and a molecular weight of 2023.27 g/mol. Its IUPAC name is 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole
PubChem CID158210118
Molecular FormulaC130H87N21O5
Molecular Weight2023.27 g/mol
Exact Mass2021.72
IUPAC Name2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2ccccc2o1.c1ccc(-n2c(-c3cccnc3-c3ncccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cncc(-c4cncc(-c5nc6ccccc6n5-c5ccccc5)c4)c3)nc3ccccc32)cc1.c1ccc2oc(-c3cncc(-c4cncc(-c5nc6ccccc6o5)c4)c3)nc2c1.c1cnc(-c2ncccc2-c2nc3ccccc3o2)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/2C36H24N6.2C24H14N4O2.C10H11NO/c1-3-13-25(14-4-1)41-31-21-9-7-19-29(31)39-35(41)27-17-11-23-37-33(27)34-28(18-12-24-38-34)36-40-30-20-8-10-22-32(30)42(36)26-15-5-2-6-16-26;1-3-11-29(12-4-1)41-33-17-9-7-15-31(33)39-35(41)27-19-25(21-37-23-27)26-20-28(24-38-22-26)36-40-32-16-8-10-18-34(32)42(36)30-13-5-2-6-14-30;1-3-11-19-17(9-1)27-23(29-19)15-7-5-13-25-21(15)22-16(8-6-14-26-22)24-28-18-10-2-4-12-20(18)30-24;1-3-7-21-19(5-1)27-23(29-21)17-9-15(11-25-13-17)16-10-18(14-26-12-16)24-28-20-6-2-4-8-22(20)30-24;1-7(2)10-11-8-5-3-4-6-9(8)12-10/h2*1-24H;2*1-14H;3-7H,1-2H3
InChIKeyGBYWQYFIVKEAOY-UHFFFAOYSA-N
XLogP30.78
TPSA304.55 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002023.27
LogP ≤ 530.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole (CID 158210118) is 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2ccccc2o1.c1ccc(-n2c(-c3cccnc3-c3ncccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cncc(-c4cncc(-c5nc6ccccc6n5-c5ccccc5)c4)c3)nc3ccccc32)cc1.c1ccc2oc(-c3cncc(-c4cncc(-c5nc6ccccc6o5)c4)c3)nc2c1.c1cnc(-c2ncccc2-c2nc3ccccc3o2)c(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole?
The InChIKey is GBYWQYFIVKEAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H24N6.2C24H14N4O2.C10H11NO/c1-3-13-25(14-4-1)41-31-21-9-7-19-29(31)39-35(41)27-17-11-23-37-33(27)34-28(18-12-24-38-34)36-40-30-20-8-10-22-32(30)42(36)26-15-5-2-6-16-26;1-3-11-29(12-4-1)41-33-17-9-7-15-31(33)39-35(41)27-19-25(21-37-23-27)26-20-28(24-38-22-26)36-40-32-16-8-10-18-34(32)42(36)30-13-5-2-6-14-30;1-3-11-19-17(9-1)27-23(29-19)15-7-5-13-25-21(15)22-16(8-6-14-26-22)24-28-18-10-2-4-12-20(18)30-24;1-3-7-21-19(5-1)27-23(29-21)17-9-15(11-25-13-17)16-10-18(14-26-12-16)24-28-20-6-2-4-8-22(20)30-24;1-7(2)10-11-8-5-3-4-6-9(8)12-10/h2*1-24H;2*1-14H;3-7H,1-2H3.
What are the key properties of 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole?
2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole has a molecular weight of 2023.27 g/mol, XLogP of 30.78, 17 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;1-phenyl-2-[2-[3-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]benzimidazole;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 158210118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).