N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C13H17FN4O — CID 106966743

IUPACN-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCc2ccccc2F)o1
InChIInChI=1S/C13H17FN4O/c1-9(15-2)12-17-18-13(19-12)16-8-7-10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeySZUUZONORBFJLL-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966743) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966743
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCc2ccccc2F)o1
InChIInChI=1S/C13H17FN4O/c1-9(15-2)12-17-18-13(19-12)16-8-7-10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeySZUUZONORBFJLL-UHFFFAOYSA-N
XLogP2.14
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 72838563
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961321
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
5-[1-(methylamino)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425032
5-[1-(ethylamino)ethyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966363
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
5-[1-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970380
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106966743) is N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NCCc2ccccc2F)o1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SZUUZONORBFJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9(15-2)12-17-18-13(19-12)16-8-7-10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).