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

C20H12N2O2 — CID 17122

IUPAC2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccccc3o2)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H12N2O2/c1-2-8-14(20-22-16-10-4-6-12-18(16)24-20)13(7-1)19-21-15-9-3-5-11-17(15)23-19/h1-12H
InChIKeyASDNIIDZSQLDMR-UHFFFAOYSA-N
MW312.33 g/mol
LogP5.30
Rot. Bonds2

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

2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 17122) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
PubChem CID17122
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccccc3o2)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H12N2O2/c1-2-8-14(20-22-16-10-4-6-12-18(16)24-20)13(7-1)19-21-15-9-3-5-11-17(15)23-19/h1-12H
InChIKeyASDNIIDZSQLDMR-UHFFFAOYSA-N
XLogP5.30
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.33
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole (CID 17122) is 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole is c1ccc(-c2nc3ccccc3o2)c(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is ASDNIIDZSQLDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2/c1-2-8-14(20-22-16-10-4-6-12-18(16)24-20)13(7-1)19-21-15-9-3-5-11-17(15)23-19/h1-12H.
What are the key properties of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole has a molecular weight of 312.33 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 17122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).