3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

C14H16FN3O — CID 93350964

IUPAC3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(-c2noc([C@@H]3CCCCN3)n2)ccc1F
InChIInChI=1S/C14H16FN3O/c1-9-8-10(5-6-11(9)15)13-17-14(19-18-13)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3/t12-/m0/s1
InChIKeyMXGPPLYRPQDMOY-LBPRGKRZSA-N
MW261.30 g/mol
LogP3.00
Rot. Bonds2

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

3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 93350964) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID93350964
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(-c2noc([C@@H]3CCCCN3)n2)ccc1F
InChIInChI=1S/C14H16FN3O/c1-9-8-10(5-6-11(9)15)13-17-14(19-18-13)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3/t12-/m0/s1
InChIKeyMXGPPLYRPQDMOY-LBPRGKRZSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 93350964) is 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is Cc1cc(-c2noc([C@@H]3CCCCN3)n2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is MXGPPLYRPQDMOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-8-10(5-6-11(9)15)13-17-14(19-18-13)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3/t12-/m0/s1.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 93350964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).