[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium

C19H20F2N3O+ — CID 8638317

IUPAC[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium
SMILESCCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H19F2N3O/c1-3-13-4-6-14(7-5-13)19-23-18(25-24-19)11-22-12(2)15-8-9-16(20)17(21)10-15/h4-10,12,22H,3,11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyAVYKPKKCKOKDJC-GFCCVEGCSA-O
MW344.39 g/mol
LogP3.40
Rot. Bonds6

About [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium

[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium (PubChem CID 8638317) has the molecular formula C19H20F2N3O+ and a molecular weight of 344.39 g/mol. Its IUPAC name is [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium
PubChem CID8638317
Molecular FormulaC19H20F2N3O+
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium
SMILESCCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H19F2N3O/c1-3-13-4-6-14(7-5-13)19-23-18(25-24-19)11-22-12(2)15-8-9-16(20)17(21)10-15/h4-10,12,22H,3,11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyAVYKPKKCKOKDJC-GFCCVEGCSA-O
XLogP3.40
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium with MolForge

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Related Compounds

N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 16566320
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864576
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-fluorophenyl)ethanamine
CID 18088398
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol
CID 70639287
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55557943
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylazanium
CID 6957276
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624911
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63348432
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64673410
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine
CID 112815116
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072269

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium?
The IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium (CID 8638317) is [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium.
What is the SMILES notation for [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium?
The canonical SMILES for [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium is CCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium?
The InChIKey is AVYKPKKCKOKDJC-GFCCVEGCSA-O. The full InChI is InChI=1S/C19H19F2N3O/c1-3-13-4-6-14(7-5-13)19-23-18(25-24-19)11-22-12(2)15-8-9-16(20)17(21)10-15/h4-10,12,22H,3,11H2,1-2H3/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium?
[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium has a molecular weight of 344.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium is sourced from PubChem (CID 8638317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).