(2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine

C15H20FN3O — CID 104916111

IUPAC(2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
SMILESCC(C)C[C@H](CN)Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C15H20FN3O/c1-10(2)7-11(9-17)8-14-18-15(19-20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9,17H2,1-2H3/t11-/m0/s1
InChIKeyZWZZKBUDWLXNAV-NSHDSACASA-N
MW277.34 g/mol
LogP3.04
Rot. Bonds6

About (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine

(2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine (PubChem CID 104916111) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name(2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
PubChem CID104916111
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
SMILESCC(C)C[C@H](CN)Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C15H20FN3O/c1-10(2)7-11(9-17)8-14-18-15(19-20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9,17H2,1-2H3/t11-/m0/s1
InChIKeyZWZZKBUDWLXNAV-NSHDSACASA-N
XLogP3.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
The IUPAC name of (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine (CID 104916111) is (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine.
What is the SMILES notation for (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
The canonical SMILES for (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine is CC(C)C[C@H](CN)Cc1nc(-c2ccccc2F)no1.
What is the InChIKey of (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
The InChIKey is ZWZZKBUDWLXNAV-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)7-11(9-17)8-14-18-15(19-20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9,17H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
(2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 104916111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).