1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol

C18H20N4O3 — CID 26519005

IUPAC1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(O)CC2)o1
InChIInChI=1S/C18H20N4O3/c1-12-16(17(21-25-12)13-5-3-2-4-6-13)18-20-19-15(24-18)11-22-9-7-14(23)8-10-22/h2-6,14,23H,7-11H2,1H3
InChIKeyNQCCCYRGAUCLHH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.66
Rot. Bonds4

About 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol

1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol (PubChem CID 26519005) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
PubChem CID26519005
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(O)CC2)o1
InChIInChI=1S/C18H20N4O3/c1-12-16(17(21-25-12)13-5-3-2-4-6-13)18-20-19-15(24-18)11-22-9-7-14(23)8-10-22/h2-6,14,23H,7-11H2,1H3
InChIKeyNQCCCYRGAUCLHH-UHFFFAOYSA-N
XLogP2.66
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111334084
2-[(4-ethoxypiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 55988343
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742
2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 11931900
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 134046419
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 86947225
(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30871497
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 128941234
2-[(2-ethylpiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 51223519
(2R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-2-carboxamide
CID 9292585
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 31469209
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 86973078

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol (CID 26519005) is 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol is Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(O)CC2)o1.
What is the InChIKey of 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol?
The InChIKey is NQCCCYRGAUCLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-16(17(21-25-12)13-5-3-2-4-6-13)18-20-19-15(24-18)11-22-9-7-14(23)8-10-22/h2-6,14,23H,7-11H2,1H3.
What are the key properties of 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol?
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol has a molecular weight of 340.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 26519005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).