2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole

C25H16N4O2 — CID 646681

IUPAC2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole
SMILESc1cc(-c2nc3cc(Cc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1
InChIInChI=1S/C25H16N4O2/c1-3-22-20(28-24(30-22)18-5-9-26-10-6-18)14-16(1)13-17-2-4-23-21(15-17)29-25(31-23)19-7-11-27-12-8-19/h1-12,14-15H,13H2
InChIKeyGFGKQCBDMAMZDX-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.68
Rot. Bonds4

About 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole

2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole (PubChem CID 646681) has the molecular formula C25H16N4O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole
PubChem CID646681
Molecular FormulaC25H16N4O2
Molecular Weight404.43 g/mol
Exact Mass404.13
IUPAC Name2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole
SMILESc1cc(-c2nc3cc(Cc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1
InChIInChI=1S/C25H16N4O2/c1-3-22-20(28-24(30-22)18-5-9-26-10-6-18)14-16(1)13-17-2-4-23-21(15-17)29-25(31-23)19-7-11-27-12-8-19/h1-12,14-15H,13H2
InChIKeyGFGKQCBDMAMZDX-UHFFFAOYSA-N
XLogP5.68
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole (CID 646681) is 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole is c1cc(-c2nc3cc(Cc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
The InChIKey is GFGKQCBDMAMZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O2/c1-3-22-20(28-24(30-22)18-5-9-26-10-6-18)14-16(1)13-17-2-4-23-21(15-17)29-25(31-23)19-7-11-27-12-8-19/h1-12,14-15H,13H2.
What are the key properties of 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole has a molecular weight of 404.43 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 646681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).