3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine

C9H7F2N3O — CID 62594651

IUPAC3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C9H7F2N3O/c1-12-9-13-8(14-15-9)5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,12,13,14)
InChIKeyBXDZKFNTWUHXKG-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.06
Rot. Bonds2

About 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine

3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 62594651) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID62594651
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C9H7F2N3O/c1-12-9-13-8(14-15-9)5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,12,13,14)
InChIKeyBXDZKFNTWUHXKG-UHFFFAOYSA-N
XLogP2.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62595025
4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 136889344
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43658638
N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62594653
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348620
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072269
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348439
3-(3-bromo-4-fluorophenyl)-N-tert-butyl-1,2,4-oxadiazol-5-amine
CID 82801885
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
CID 75203458
3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 103399678

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 62594651) is 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine is CNc1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is BXDZKFNTWUHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c1-12-9-13-8(14-15-9)5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,12,13,14).
What are the key properties of 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 211.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).