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

C13H14FN3O — CID 72838563

IUPAC5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1CCNc1nnc(C2CC2)o1
InChIInChI=1S/C13H14FN3O/c14-11-4-2-1-3-9(11)7-8-15-13-17-16-12(18-13)10-5-6-10/h1-4,10H,5-8H2,(H,15,17)
InChIKeyTUYFFLZYDAGLDV-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.74
Rot. Bonds5

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

5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72838563) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID72838563
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1CCNc1nnc(C2CC2)o1
InChIInChI=1S/C13H14FN3O/c14-11-4-2-1-3-9(11)7-8-15-13-17-16-12(18-13)10-5-6-10/h1-4,10H,5-8H2,(H,15,17)
InChIKeyTUYFFLZYDAGLDV-UHFFFAOYSA-N
XLogP2.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966743
5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 72880115
5-cyclopropyl-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 130626835
5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 126772324
6-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 113200165
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456525
2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-fluorobenzamide
CID 114559422
2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride
CID 52985927
N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 115777283
5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 115924805
N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61311370

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 72838563) is 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is Fc1ccccc1CCNc1nnc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is TUYFFLZYDAGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-4-2-1-3-9(11)7-8-15-13-17-16-12(18-13)10-5-6-10/h1-4,10H,5-8H2,(H,15,17).
What are the key properties of 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72838563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).