[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

C15H13FN4O — CID 81090077

IUPAC[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(Cc3ccc(F)cc3)no2)nc1
InChIInChI=1S/C15H13FN4O/c16-12-4-1-10(2-5-12)7-14-19-15(21-20-14)13-6-3-11(8-17)9-18-13/h1-6,9H,7-8,17H2
InChIKeyOWULKRMWXGJHIQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.32
Rot. Bonds4

About [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 81090077) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID81090077
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(Cc3ccc(F)cc3)no2)nc1
InChIInChI=1S/C15H13FN4O/c16-12-4-1-10(2-5-12)7-14-19-15(21-20-14)13-6-3-11(8-17)9-18-13/h1-6,9H,7-8,17H2
InChIKeyOWULKRMWXGJHIQ-UHFFFAOYSA-N
XLogP2.32
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 81090077) is [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is NCc1ccc(-c2nc(Cc3ccc(F)cc3)no2)nc1.
What is the InChIKey of [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is OWULKRMWXGJHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-12-4-1-10(2-5-12)7-14-19-15(21-20-14)13-6-3-11(8-17)9-18-13/h1-6,9H,7-8,17H2.
What are the key properties of [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 284.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81090077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).