N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

C20H17FN4O — CID 71062676

IUPACN-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1nc(-c2ccc(C#Cc3cccc(F)c3)cn2)no1
InChIInChI=1S/C20H17FN4O/c1-13(23-17-8-9-17)20-24-19(25-26-20)18-10-7-15(12-22-18)6-5-14-3-2-4-16(21)11-14/h2-4,7,10-13,17,23H,8-9H2,1H3
InChIKeyGRILGYJPADCRML-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.48
Rot. Bonds4

About N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 71062676) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID71062676
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1nc(-c2ccc(C#Cc3cccc(F)c3)cn2)no1
InChIInChI=1S/C20H17FN4O/c1-13(23-17-8-9-17)20-24-19(25-26-20)18-10-7-15(12-22-18)6-5-14-3-2-4-16(21)11-14/h2-4,7,10-13,17,23H,8-9H2,1H3
InChIKeyGRILGYJPADCRML-UHFFFAOYSA-N
XLogP3.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 71088334
N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 71618817
1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]propylcarbamic acid
CID 71062630
1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylcyclopropan-1-amine
CID 71062604
5-[2-(3-fluorophenyl)ethynyl]-N'-hydroxypyridine-2-carboximidamide;3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-5-(1-methoxyethyl)-1,2,4-oxadiazole;2-methoxypropanoic acid;hydrochloride
CID 172937688
3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(1-methoxyethyl)-1,2,4-oxadiazole
CID 71088056
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine
CID 50971962
5-(1-bromoethyl)-3-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 90326288
N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79719108
N-[1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N-methylbut-3-en-2-amine
CID 89262591
3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(1-methoxypropyl)-1,2,4-oxadiazole
CID 71088301
N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
CID 45166053

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 71062676) is N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is CC(NC1CC1)c1nc(-c2ccc(C#Cc3cccc(F)c3)cn2)no1.
What is the InChIKey of N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is GRILGYJPADCRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13(23-17-8-9-17)20-24-19(25-26-20)18-10-7-15(12-22-18)6-5-14-3-2-4-16(21)11-14/h2-4,7,10-13,17,23H,8-9H2,1H3.
What are the key properties of N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 348.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 71062676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).