N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine

C10H11N3O — CID 171384476

IUPACN,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine
SMILESC/N=c1\onc(-c2ccccc2)n1C
InChIInChI=1S/C10H11N3O/c1-11-10-13(2)9(12-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3/b11-10-
InChIKeyHLRUSCKHZRZAFB-KHPPLWFESA-N
MW189.22 g/mol
LogP1.21
Rot. Bonds1

About N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine

N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine (PubChem CID 171384476) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine.

Molecular Properties

Compound NameN,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine
PubChem CID171384476
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine
SMILESC/N=c1\onc(-c2ccccc2)n1C
InChIInChI=1S/C10H11N3O/c1-11-10-13(2)9(12-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3/b11-10-
InChIKeyHLRUSCKHZRZAFB-KHPPLWFESA-N
XLogP1.21
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine?
The IUPAC name of N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine (CID 171384476) is N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine.
What is the SMILES notation for N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine?
The canonical SMILES for N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine is C/N=c1\onc(-c2ccccc2)n1C.
What is the InChIKey of N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine?
The InChIKey is HLRUSCKHZRZAFB-KHPPLWFESA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-10-13(2)9(12-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3/b11-10-.
What are the key properties of N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine?
N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine has a molecular weight of 189.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-phenyl-1,2,4-oxadiazol-5-imine is sourced from PubChem (CID 171384476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).