N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine

C16H14FN3O — CID 53299052

IUPACN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1C
InChIInChI=1S/C16H14FN3O/c1-10-7-8-12(9-11(10)2)18-16-19-15(20-21-16)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKMSYSMFWNYVSSS-UHFFFAOYSA-N
MW283.31 g/mol
LogP4.24
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine

N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 53299052) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID53299052
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1C
InChIInChI=1S/C16H14FN3O/c1-10-7-8-12(9-11(10)2)18-16-19-15(20-21-16)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKMSYSMFWNYVSSS-UHFFFAOYSA-N
XLogP4.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 53299052) is N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is Cc1ccc(Nc2nc(-c3ccccc3F)no2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is KMSYSMFWNYVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-7-8-12(9-11(10)2)18-16-19-15(20-21-16)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 53299052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).