2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole

C24H14N4O2 — CID 123961416

IUPAC2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole
SMILESc1cncc(-c2c(-c3nc4ccccc4o3)ccnc2-c2nc3ccccc3o2)c1
InChIInChI=1S/C24H14N4O2/c1-3-9-19-17(7-1)27-23(29-19)16-11-13-26-22(21(16)15-6-5-12-25-14-15)24-28-18-8-2-4-10-20(18)30-24/h1-14H
InChIKeyNPVNYRUEHWVGJI-UHFFFAOYSA-N
MW390.40 g/mol
LogP5.76
Rot. Bonds3

About 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole

2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole (PubChem CID 123961416) has the molecular formula C24H14N4O2 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole
PubChem CID123961416
Molecular FormulaC24H14N4O2
Molecular Weight390.40 g/mol
Exact Mass390.11
IUPAC Name2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole
SMILESc1cncc(-c2c(-c3nc4ccccc4o3)ccnc2-c2nc3ccccc3o2)c1
InChIInChI=1S/C24H14N4O2/c1-3-9-19-17(7-1)27-23(29-19)16-11-13-26-22(21(16)15-6-5-12-25-14-15)24-28-18-8-2-4-10-20(18)30-24/h1-14H
InChIKeyNPVNYRUEHWVGJI-UHFFFAOYSA-N
XLogP5.76
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(10-isoquinolin-8-ylanthracen-9-yl)phenyl]-1,3-benzoxazole;2-[4-(10-quinolin-4-ylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 158723031
3-(1,3-benzoxazol-2-yl)pyrazin-2-amine
CID 67388669
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
9-[3-(1,3-benzoxazol-2-yl)-2,4,5-tris(3,6-dicyanocarbazol-9-yl)-6-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 150579006
2-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-pyridin-3-ylphenyl]-1,3-benzoxazole
CID 139533399
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-phenyl-[1,3]oxazolo[5,4-c]pyridine
CID 19979601
2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
2-(2-fluorophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 19979602
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 160937402

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole (CID 123961416) is 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole is c1cncc(-c2c(-c3nc4ccccc4o3)ccnc2-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole?
The InChIKey is NPVNYRUEHWVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O2/c1-3-9-19-17(7-1)27-23(29-19)16-11-13-26-22(21(16)15-6-5-12-25-14-15)24-28-18-8-2-4-10-20(18)30-24/h1-14H.
What are the key properties of 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole?
2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole has a molecular weight of 390.40 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yl)-3-pyridin-3-yl-4-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 123961416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).