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

C11H12FN3O — CID 10632769

IUPAC(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O/c1-7(13)11-14-10(15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3/t7-/m0/s1
InChIKeyKRGRYOSYKJKNQK-ZETCQYMHSA-N
MW221.24 g/mol
LogP1.82
Rot. Bonds3

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

(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 10632769) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID10632769
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O/c1-7(13)11-14-10(15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3/t7-/m0/s1
InChIKeyKRGRYOSYKJKNQK-ZETCQYMHSA-N
XLogP1.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 10632769) is (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is C[C@H](N)c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is KRGRYOSYKJKNQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7(13)11-14-10(15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 221.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 10632769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).