2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole

C24H23NO2 — CID 142246861

IUPAC2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole
SMILESC1=C2CCCCCCC2=CCC(c2nc3ccc(-c4ccco4)cc3o2)=C1
InChIInChI=1S/C24H23NO2/c1-2-4-7-18-10-12-19(11-9-17(18)6-3-1)24-25-21-14-13-20(16-23(21)27-24)22-8-5-15-26-22/h5,8-11,13-16H,1-4,6-7,12H2
InChIKeyVOYBIQLVHRZMBN-UHFFFAOYSA-N
MW357.45 g/mol
LogP7.08
Rot. Bonds2

About 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole

2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole (PubChem CID 142246861) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole
PubChem CID142246861
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole
SMILESC1=C2CCCCCCC2=CCC(c2nc3ccc(-c4ccco4)cc3o2)=C1
InChIInChI=1S/C24H23NO2/c1-2-4-7-18-10-12-19(11-9-17(18)6-3-1)24-25-21-14-13-20(16-23(21)27-24)22-8-5-15-26-22/h5,8-11,13-16H,1-4,6-7,12H2
InChIKeyVOYBIQLVHRZMBN-UHFFFAOYSA-N
XLogP7.08
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole with MolForge

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Related Compounds

2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
CID 23026024
[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
2-(5,6,7,8-tetrahydronaphthalen-2-yl)furan
CID 90886598
2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
CID 168527045
2-[5-(cyclopropylmethoxy)cyclohepta-1,3,5-trien-1-yl]-6-(2-fluorophenyl)-1,3-benzoxazole
CID 142246939
N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
CID 171115267
2-[4-(furan-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 168526083
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol
CID 68764801
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
2-butyl-5-(furan-2-yl)-1,3-benzoxazole
CID 168526990

Frequently Asked Questions

What is the IUPAC name of 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole (CID 142246861) is 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole is C1=C2CCCCCCC2=CCC(c2nc3ccc(-c4ccco4)cc3o2)=C1.
What is the InChIKey of 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole?
The InChIKey is VOYBIQLVHRZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-4-7-18-10-12-19(11-9-17(18)6-3-1)24-25-21-14-13-20(16-23(21)27-24)22-8-5-15-26-22/h5,8-11,13-16H,1-4,6-7,12H2.
What are the key properties of 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole?
2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole has a molecular weight of 357.45 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 142246861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).