5-phenyl-4,5-dihydrooxadiazole

C8H8N2O — CID 154572908

IUPAC5-phenyl-4,5-dihydrooxadiazole
SMILESc1ccc(C2CN=NO2)cc1
InChIInChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-6-9-10-11-8/h1-5,8H,6H2
InChIKeySAIZTIVTBKHONT-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.13
Rot. Bonds1

About 5-phenyl-4,5-dihydrooxadiazole

5-phenyl-4,5-dihydrooxadiazole (PubChem CID 154572908) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydrooxadiazole.

Molecular Properties

Compound Name5-phenyl-4,5-dihydrooxadiazole
PubChem CID154572908
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-phenyl-4,5-dihydrooxadiazole
SMILESc1ccc(C2CN=NO2)cc1
InChIInChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-6-9-10-11-8/h1-5,8H,6H2
InChIKeySAIZTIVTBKHONT-UHFFFAOYSA-N
XLogP2.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyloxirane
CID 7276
(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 91555528
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120
ethane;2-phenyloxirane
CID 54171856
4-methylidene-2-phenyloxolane
CID 11084168
2,6-diphenylmorpholine
CID 43381979
(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 15939754
5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole
CID 158354992
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
2,6-diphenyloxan-4-one
CID 500287
(6R)-2-methylidene-6-phenyloxane
CID 125486345

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5-dihydrooxadiazole?
The IUPAC name of 5-phenyl-4,5-dihydrooxadiazole (CID 154572908) is 5-phenyl-4,5-dihydrooxadiazole.
What is the SMILES notation for 5-phenyl-4,5-dihydrooxadiazole?
The canonical SMILES for 5-phenyl-4,5-dihydrooxadiazole is c1ccc(C2CN=NO2)cc1.
What is the InChIKey of 5-phenyl-4,5-dihydrooxadiazole?
The InChIKey is SAIZTIVTBKHONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-6-9-10-11-8/h1-5,8H,6H2.
What are the key properties of 5-phenyl-4,5-dihydrooxadiazole?
5-phenyl-4,5-dihydrooxadiazole has a molecular weight of 148.16 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5-dihydrooxadiazole is sourced from PubChem (CID 154572908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).