3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C14H16FN3O — CID 104911758

IUPAC3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1Cc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C14H16FN3O/c15-12-6-2-1-4-10(12)8-13-17-14(19-18-13)11-5-3-7-16-9-11/h1-2,4,6,11,16H,3,5,7-9H2/t11-/m0/s1
InChIKeyLIDNFHUEYOLDFV-NSHDSACASA-N
MW261.30 g/mol
LogP2.27
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911758) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911758
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1Cc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C14H16FN3O/c15-12-6-2-1-4-10(12)8-13-17-14(19-18-13)11-5-3-7-16-9-11/h1-2,4,6,11,16H,3,5,7-9H2/t11-/m0/s1
InChIKeyLIDNFHUEYOLDFV-NSHDSACASA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552034
3-[(2-fluorophenoxy)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893547
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032178

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911758) is 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is Fc1ccccc1Cc1noc([C@H]2CCCNC2)n1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is LIDNFHUEYOLDFV-NSHDSACASA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-6-2-1-4-10(12)8-13-17-14(19-18-13)11-5-3-7-16-9-11/h1-2,4,6,11,16H,3,5,7-9H2/t11-/m0/s1.
What are the key properties of 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).