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

C20H12N2O2 — CID 762888

IUPAC2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H12N2O2/c1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20/h1-12H
InChIKeyRYDGJSHONGAQOS-UHFFFAOYSA-N
MW312.33 g/mol
LogP5.30
Rot. Bonds2

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

2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 762888) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
PubChem CID762888
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H12N2O2/c1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20/h1-12H
InChIKeyRYDGJSHONGAQOS-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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Related Compounds

2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 157124989
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
[3-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056269
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
2-[3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 171056439
2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
CID 129148229

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole (CID 762888) is 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole is c1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is RYDGJSHONGAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2/c1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20/h1-12H.
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole?
2-[3-(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-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 762888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).