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

C14H17FN4O — CID 115312862

IUPAC[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN4O/c15-11-5-3-10(4-6-11)14-18-17-13(20-14)9-19-7-1-2-12(19)8-16/h3-6,12H,1-2,7-9,16H2
InChIKeyLYMOJUNJZDAMJU-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.80
Rot. Bonds4

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

[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115312862) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
PubChem CID115312862
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN4O/c15-11-5-3-10(4-6-11)14-18-17-13(20-14)9-19-7-1-2-12(19)8-16/h3-6,12H,1-2,7-9,16H2
InChIKeyLYMOJUNJZDAMJU-UHFFFAOYSA-N
XLogP1.80
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
2-(4-fluorophenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609789
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 62672288
2-(4-chlorophenyl)-5-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609308
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95721312
(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 99106988
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65447710

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine (CID 115312862) is [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is LYMOJUNJZDAMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-11-5-3-10(4-6-11)14-18-17-13(20-14)9-19-7-1-2-12(19)8-16/h3-6,12H,1-2,7-9,16H2.
What are the key properties of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine?
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 276.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115312862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).