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

C14H17ClFN3O — CID 120893922

IUPAC3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(Cc2noc([C@H]3CCCCN3)n2)c1
InChIInChI=1S/C14H16FN3O.ClH/c15-11-5-3-4-10(8-11)9-13-17-14(19-18-13)12-6-1-2-7-16-12;/h3-5,8,12,16H,1-2,6-7,9H2;1H/t12-;/m1./s1
InChIKeyDLNDUGHQGNOFSD-UTONKHPSSA-N
MW297.76 g/mol
LogP3.04
Rot. Bonds3

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

3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120893922) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120893922
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(Cc2noc([C@H]3CCCCN3)n2)c1
InChIInChI=1S/C14H16FN3O.ClH/c15-11-5-3-4-10(8-11)9-13-17-14(19-18-13)12-6-1-2-7-16-12;/h3-5,8,12,16H,1-2,6-7,9H2;1H/t12-;/m1./s1
InChIKeyDLNDUGHQGNOFSD-UTONKHPSSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 120893922) is 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride is Cl.Fc1cccc(Cc2noc([C@H]3CCCCN3)n2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is DLNDUGHQGNOFSD-UTONKHPSSA-N. The full InChI is InChI=1S/C14H16FN3O.ClH/c15-11-5-3-4-10(8-11)9-13-17-14(19-18-13)12-6-1-2-7-16-12;/h3-5,8,12,16H,1-2,6-7,9H2;1H/t12-;/m1./s1.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 297.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120893922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).