[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C15H23N5O3 — CID 110019454

IUPAC[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCOCc1nc(CN2CCC(C(O)c3nccn3C)CC2)no1
InChIInChI=1S/C15H23N5O3/c1-19-8-5-16-15(19)14(21)11-3-6-20(7-4-11)9-12-17-13(10-22-2)23-18-12/h5,8,11,14,21H,3-4,6-7,9-10H2,1-2H3
InChIKeyRJSBPJHIFXKJKL-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.90
Rot. Bonds6

About [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 110019454) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID110019454
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCOCc1nc(CN2CCC(C(O)c3nccn3C)CC2)no1
InChIInChI=1S/C15H23N5O3/c1-19-8-5-16-15(19)14(21)11-3-6-20(7-4-11)9-12-17-13(10-22-2)23-18-12/h5,8,11,14,21H,3-4,6-7,9-10H2,1-2H3
InChIKeyRJSBPJHIFXKJKL-UHFFFAOYSA-N
XLogP0.90
TPSA89.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 110019454) is [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is COCc1nc(CN2CCC(C(O)c3nccn3C)CC2)no1.
What is the InChIKey of [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is RJSBPJHIFXKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-19-8-5-16-15(19)14(21)11-3-6-20(7-4-11)9-12-17-13(10-22-2)23-18-12/h5,8,11,14,21H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 321.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 110019454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).