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

C19H15FN4O — CID 71618817

IUPACN-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCN(c1nc(-c2ccc(C#Cc3cccc(F)c3)cn2)no1)C1CC1
InChIInChI=1S/C19H15FN4O/c1-24(16-8-9-16)19-22-18(23-25-19)17-10-7-14(12-21-17)6-5-13-3-2-4-15(20)11-13/h2-4,7,10-12,16H,8-9H2,1H3
InChIKeyIVHZVFLFGJEEBD-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.27
Rot. Bonds3

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

N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 71618817) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID71618817
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC NameN-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCN(c1nc(-c2ccc(C#Cc3cccc(F)c3)cn2)no1)C1CC1
InChIInChI=1S/C19H15FN4O/c1-24(16-8-9-16)19-22-18(23-25-19)17-10-7-14(12-21-17)6-5-13-3-2-4-15(20)11-13/h2-4,7,10-12,16H,8-9H2,1H3
InChIKeyIVHZVFLFGJEEBD-UHFFFAOYSA-N
XLogP3.27
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine (CID 71618817) is N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine is CN(c1nc(-c2ccc(C#Cc3cccc(F)c3)cn2)no1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is IVHZVFLFGJEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-24(16-8-9-16)19-22-18(23-25-19)17-10-7-14(12-21-17)6-5-13-3-2-4-15(20)11-13/h2-4,7,10-12,16H,8-9H2,1H3.
What are the key properties of N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 334.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71618817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).