1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol

C13H17N3O3 — CID 80706784

IUPAC1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2noc(-c3ccco3)n2)CC1
InChIInChI=1S/C13H17N3O3/c1-13(17)4-6-16(7-5-13)9-11-14-12(19-15-11)10-3-2-8-18-10/h2-3,8,17H,4-7,9H2,1H3
InChIKeyJPKBSMVRDPPALP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.68
Rot. Bonds3

About 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol

1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol (PubChem CID 80706784) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
PubChem CID80706784
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2noc(-c3ccco3)n2)CC1
InChIInChI=1S/C13H17N3O3/c1-13(17)4-6-16(7-5-13)9-11-14-12(19-15-11)10-3-2-8-18-10/h2-3,8,17H,4-7,9H2,1H3
InChIKeyJPKBSMVRDPPALP-UHFFFAOYSA-N
XLogP1.68
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol (CID 80706784) is 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol is CC1(O)CCN(Cc2noc(-c3ccco3)n2)CC1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is JPKBSMVRDPPALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(17)4-6-16(7-5-13)9-11-14-12(19-15-11)10-3-2-8-18-10/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol?
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 263.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 80706784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).