4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine

C9H9N3O — CID 171384418

IUPAC4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine
SMILES[H]/N=c1\onc(-c2ccccc2)n1C
InChIInChI=1S/C9H9N3O/c1-12-8(11-13-9(12)10)7-5-3-2-4-6-7/h2-6,10H,1H3/b10-9-
InChIKeyGSXHKNUUHRIRSG-KTKRTIGZSA-N
MW175.19 g/mol
LogP1.16
Rot. Bonds1

About 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine

4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine (PubChem CID 171384418) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine.

Molecular Properties

Compound Name4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine
PubChem CID171384418
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine
SMILES[H]/N=c1\onc(-c2ccccc2)n1C
InChIInChI=1S/C9H9N3O/c1-12-8(11-13-9(12)10)7-5-3-2-4-6-7/h2-6,10H,1H3/b10-9-
InChIKeyGSXHKNUUHRIRSG-KTKRTIGZSA-N
XLogP1.16
TPSA54.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine?
The IUPAC name of 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine (CID 171384418) is 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine.
What is the SMILES notation for 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine?
The canonical SMILES for 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine is [H]/N=c1\onc(-c2ccccc2)n1C.
What is the InChIKey of 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine?
The InChIKey is GSXHKNUUHRIRSG-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-8(11-13-9(12)10)7-5-3-2-4-6-7/h2-6,10H,1H3/b10-9-.
What are the key properties of 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine?
4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine has a molecular weight of 175.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine is sourced from PubChem (CID 171384418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).