2-(1H-phenalen-1-yl)-1,3,4-oxadiazole

C15H10N2O — CID 70399932

IUPAC2-(1H-phenalen-1-yl)-1,3,4-oxadiazole
SMILESC1=CC(c2nnco2)c2cccc3cccc1c23
InChIInChI=1S/C15H10N2O/c1-3-10-5-2-6-12-13(15-17-16-9-18-15)8-7-11(4-1)14(10)12/h1-9,13H
InChIKeyBJZXYNAXKFAWMT-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.38
Rot. Bonds1

About 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole

2-(1H-phenalen-1-yl)-1,3,4-oxadiazole (PubChem CID 70399932) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-phenalen-1-yl)-1,3,4-oxadiazole
PubChem CID70399932
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name2-(1H-phenalen-1-yl)-1,3,4-oxadiazole
SMILESC1=CC(c2nnco2)c2cccc3cccc1c23
InChIInChI=1S/C15H10N2O/c1-3-10-5-2-6-12-13(15-17-16-9-18-15)8-7-11(4-1)14(10)12/h1-9,13H
InChIKeyBJZXYNAXKFAWMT-UHFFFAOYSA-N
XLogP3.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 20119571
2-(4-Methyl-2-phenyl-4-cyclohexen-1-yl)[1,3,4]oxadiazole
CID 3613626
5-(Naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 356893
2-(3-Trifluoromethyl-benzyl)-[1,3,4]oxadiazole
CID 66579312
2-[(2-Fluoro-5-methylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole
CID 146324557
2-[Difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 170757983
2-[(2-Fluoro-4-phenylphenyl)methyl]-1,3,4-oxadiazole
CID 176337568
2,5-Bis(naphthalen-1-ylmethyl)-1,3,4-oxadiazole
CID 49960067
2-[[4-Fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
CID 154019849
2-Benzyl-1,3,4-oxadiazole
CID 4691431
2-(2-Phenylpropan-2-yl)-1,3,4-oxadiazole
CID 10655223
2-(3-Methylbenzyl)-1,3,4-oxadiazole
CID 10844968

Frequently Asked Questions

What is the IUPAC name of 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole (CID 70399932) is 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole is C1=CC(c2nnco2)c2cccc3cccc1c23.
What is the InChIKey of 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole?
The InChIKey is BJZXYNAXKFAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-3-10-5-2-6-12-13(15-17-16-9-18-15)8-7-11(4-1)14(10)12/h1-9,13H.
What are the key properties of 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole?
2-(1H-phenalen-1-yl)-1,3,4-oxadiazole has a molecular weight of 234.26 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-phenalen-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 70399932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).