8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole

C23H17NO2 — CID 56695459

IUPAC8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole
SMILESc1ccc(N2C(c3ccco3)OC3c4cccc5cccc(c45)C32)cc1
InChIInChI=1S/C23H17NO2/c1-2-9-16(10-3-1)24-21-17-11-4-7-15-8-5-12-18(20(15)17)22(21)26-23(24)19-13-6-14-25-19/h1-14,21-23H
InChIKeyDQUZWTAMVCAHCK-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.76
Rot. Bonds2

About 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole

8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole (PubChem CID 56695459) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole
PubChem CID56695459
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole
SMILESc1ccc(N2C(c3ccco3)OC3c4cccc5cccc(c45)C32)cc1
InChIInChI=1S/C23H17NO2/c1-2-9-16(10-3-1)24-21-17-11-4-7-15-8-5-12-18(20(15)17)22(21)26-23(24)19-13-6-14-25-19/h1-14,21-23H
InChIKeyDQUZWTAMVCAHCK-UHFFFAOYSA-N
XLogP5.76
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole?
The IUPAC name of 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole (CID 56695459) is 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole.
What is the SMILES notation for 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole?
The canonical SMILES for 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole is c1ccc(N2C(c3ccco3)OC3c4cccc5cccc(c45)C32)cc1.
What is the InChIKey of 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole?
The InChIKey is DQUZWTAMVCAHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c1-2-9-16(10-3-1)24-21-17-11-4-7-15-8-5-12-18(20(15)17)22(21)26-23(24)19-13-6-14-25-19/h1-14,21-23H.
What are the key properties of 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole?
8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole has a molecular weight of 339.39 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-9-phenyl-8,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazole is sourced from PubChem (CID 56695459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).