2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole

C19H11N3O2 — CID 651855

IUPAC2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
SMILESc1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H11N3O2/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19/h1-11H
InChIKeyLABDAMKZNFRJIA-UHFFFAOYSA-N
MW313.32 g/mol
LogP4.70
Rot. Bonds2

About 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole (PubChem CID 651855) has the molecular formula C19H11N3O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
PubChem CID651855
Molecular FormulaC19H11N3O2
Molecular Weight313.32 g/mol
Exact Mass313.09
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
SMILESc1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H11N3O2/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19/h1-11H
InChIKeyLABDAMKZNFRJIA-UHFFFAOYSA-N
XLogP4.70
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 139174937
CID 139174937
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
6-(1,3-benzoxazol-2-yl)-N-[4-[[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
CID 121298749
sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)
CID 139126968
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole
CID 20511918
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
2-(4-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677444

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole (CID 651855) is 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole is c1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
The InChIKey is LABDAMKZNFRJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19/h1-11H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole has a molecular weight of 313.32 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 651855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).