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

C15H13FN4O — CID 114324906

IUPAC[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(Cc3cccc(F)c3)no2)ccn1
InChIInChI=1S/C15H13FN4O/c16-12-3-1-2-10(6-12)7-14-19-15(21-20-14)11-4-5-18-13(8-11)9-17/h1-6,8H,7,9,17H2
InChIKeyGCCJFDXDHUEIIF-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.32
Rot. Bonds4

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

[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (PubChem CID 114324906) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
PubChem CID114324906
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(Cc3cccc(F)c3)no2)ccn1
InChIInChI=1S/C15H13FN4O/c16-12-3-1-2-10(6-12)7-14-19-15(21-20-14)11-4-5-18-13(8-11)9-17/h1-6,8H,7,9,17H2
InChIKeyGCCJFDXDHUEIIF-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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Related Compounds

[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949
[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 167848574
5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43152232
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66067859
4-[[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 60894442
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106523839
3-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345653

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (CID 114324906) is [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is NCc1cc(-c2nc(Cc3cccc(F)c3)no2)ccn1.
What is the InChIKey of [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The InChIKey is GCCJFDXDHUEIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-12-3-1-2-10(6-12)7-14-19-15(21-20-14)11-4-5-18-13(8-11)9-17/h1-6,8H,7,9,17H2.
What are the key properties of [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-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 [4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 114324906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).