3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride

C11H14ClN3O2 — CID 68927912

IUPAC3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1coc(-c2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C11H13N3O2.ClH/c1-3-8(7-12-5-1)11-13-10(14-16-11)9-4-2-6-15-9;/h2,4,6,8,12H,1,3,5,7H2;1H/t8-;/m0./s1
InChIKeyHDMFCUFRHWOBGW-QRPNPIFTSA-N
MW255.70 g/mol
LogP2.22
Rot. Bonds2

About 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride

3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 68927912) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID68927912
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1coc(-c2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C11H13N3O2.ClH/c1-3-8(7-12-5-1)11-13-10(14-16-11)9-4-2-6-15-9;/h2,4,6,8,12H,1,3,5,7H2;1H/t8-;/m0./s1
InChIKeyHDMFCUFRHWOBGW-QRPNPIFTSA-N
XLogP2.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride (CID 68927912) is 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride is Cl.c1coc(-c2noc([C@H]3CCCNC3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is HDMFCUFRHWOBGW-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c1-3-8(7-12-5-1)11-13-10(14-16-11)9-4-2-6-15-9;/h2,4,6,8,12H,1,3,5,7H2;1H/t8-;/m0./s1.
What are the key properties of 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 255.70 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 68927912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).