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

C25H16N4O2 — CID 646606

IUPAC2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole
SMILESc1cncc(-c2nc3cc(Cc4ccc5oc(-c6cccnc6)nc5c4)ccc3o2)c1
InChIInChI=1S/C25H16N4O2/c1-3-18(14-26-9-1)24-28-20-12-16(5-7-22(20)30-24)11-17-6-8-23-21(13-17)29-25(31-23)19-4-2-10-27-15-19/h1-10,12-15H,11H2
InChIKeyRAPROXBJJCMCQM-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.68
Rot. Bonds4

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

2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole (PubChem CID 646606) has the molecular formula C25H16N4O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole
PubChem CID646606
Molecular FormulaC25H16N4O2
Molecular Weight404.43 g/mol
Exact Mass404.13
IUPAC Name2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole
SMILESc1cncc(-c2nc3cc(Cc4ccc5oc(-c6cccnc6)nc5c4)ccc3o2)c1
InChIInChI=1S/C25H16N4O2/c1-3-18(14-26-9-1)24-28-20-12-16(5-7-22(20)30-24)11-17-6-8-23-21(13-17)29-25(31-23)19-4-2-10-27-15-19/h1-10,12-15H,11H2
InChIKeyRAPROXBJJCMCQM-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-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole (CID 646606) is 2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole is c1cncc(-c2nc3cc(Cc4ccc5oc(-c6cccnc6)nc5c4)ccc3o2)c1.
What is the InChIKey of 2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
The InChIKey is RAPROXBJJCMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O2/c1-3-18(14-26-9-1)24-28-20-12-16(5-7-22(20)30-24)11-17-6-8-23-21(13-17)29-25(31-23)19-4-2-10-27-15-19/h1-10,12-15H,11H2.
What are the key properties of 2-pyridin-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole?
2-pyridin-3-yl-5-[(2-pyridin-3-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-3-yl-5-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 646606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).