2-(1-benzofuran-2-yl)-1,3-benzoxazole

C15H9NO2 — CID 9323121

IUPAC2-(1-benzofuran-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3nc4ccccc4o3)cc2c1
InChIInChI=1S/C15H9NO2/c1-3-7-12-10(5-1)9-14(17-12)15-16-11-6-2-4-8-13(11)18-15/h1-9H
InChIKeyHKAUXZQQHXNRCR-UHFFFAOYSA-N
MW235.24 g/mol
LogP4.24
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-1,3-benzoxazole

2-(1-benzofuran-2-yl)-1,3-benzoxazole (PubChem CID 9323121) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1,3-benzoxazole
PubChem CID9323121
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name2-(1-benzofuran-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3nc4ccccc4o3)cc2c1
InChIInChI=1S/C15H9NO2/c1-3-7-12-10(5-1)9-14(17-12)15-16-11-6-2-4-8-13(11)18-15/h1-9H
InChIKeyHKAUXZQQHXNRCR-UHFFFAOYSA-N
XLogP4.24
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-anthracen-9-yl-1,3-benzoxazole
CID 59439667
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one
CID 9323110
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
CID 118905509
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-1,3-benzoxazole (CID 9323121) is 2-(1-benzofuran-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1,3-benzoxazole is c1ccc2oc(-c3nc4ccccc4o3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1,3-benzoxazole?
The InChIKey is HKAUXZQQHXNRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c1-3-7-12-10(5-1)9-14(17-12)15-16-11-6-2-4-8-13(11)18-15/h1-9H.
What are the key properties of 2-(1-benzofuran-2-yl)-1,3-benzoxazole?
2-(1-benzofuran-2-yl)-1,3-benzoxazole has a molecular weight of 235.24 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 9323121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).