3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline

C16H12N2O — CID 582219

IUPAC3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline
SMILESC1=CN2C(c3ccccc3)=NOC2c2ccccc21
InChIInChI=1S/C16H12N2O/c1-2-7-13(8-3-1)15-17-19-16-14-9-5-4-6-12(14)10-11-18(15)16/h1-11,16H
InChIKeyVARWMIADSWUVCN-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.36
Rot. Bonds1

About 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline

3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline (PubChem CID 582219) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline.

Molecular Properties

Compound Name3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline
PubChem CID582219
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline
SMILESC1=CN2C(c3ccccc3)=NOC2c2ccccc21
InChIInChI=1S/C16H12N2O/c1-2-7-13(8-3-1)15-17-19-16-14-9-5-4-6-12(14)10-11-18(15)16/h1-11,16H
InChIKeyVARWMIADSWUVCN-UHFFFAOYSA-N
XLogP3.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
CID 15257620
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 75939506
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12954952
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616
N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 52787578
N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 56684836
N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 60221593
N'-[(4-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 60602675
4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
CID 71722763
N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 72684731

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline?
The IUPAC name of 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline (CID 582219) is 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline.
What is the SMILES notation for 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline?
The canonical SMILES for 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline is C1=CN2C(c3ccccc3)=NOC2c2ccccc21.
What is the InChIKey of 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline?
The InChIKey is VARWMIADSWUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-2-7-13(8-3-1)15-17-19-16-14-9-5-4-6-12(14)10-11-18(15)16/h1-11,16H.
What are the key properties of 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline?
3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline has a molecular weight of 248.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10bH-[1,2,4]oxadiazolo[5,4-a]isoquinoline is sourced from PubChem (CID 582219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).