1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol

C17H25N3O2 — CID 56751342

IUPAC1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCCC1=NOC(CN2CCC(O)(c3ccc(C)cn3)CC2)C1
InChIInChI=1S/C17H25N3O2/c1-3-14-10-15(22-19-14)12-20-8-6-17(21,7-9-20)16-5-4-13(2)11-18-16/h4-5,11,15,21H,3,6-10,12H2,1-2H3
InChIKeyWGNUJOTUSCADMW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.23
Rot. Bonds4

About 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol

1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol (PubChem CID 56751342) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
PubChem CID56751342
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCCC1=NOC(CN2CCC(O)(c3ccc(C)cn3)CC2)C1
InChIInChI=1S/C17H25N3O2/c1-3-14-10-15(22-19-14)12-20-8-6-17(21,7-9-20)16-5-4-13(2)11-18-16/h4-5,11,15,21H,3,6-10,12H2,1-2H3
InChIKeyWGNUJOTUSCADMW-UHFFFAOYSA-N
XLogP2.23
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol (CID 56751342) is 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol is CCC1=NOC(CN2CCC(O)(c3ccc(C)cn3)CC2)C1.
What is the InChIKey of 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The InChIKey is WGNUJOTUSCADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-14-10-15(22-19-14)12-20-8-6-17(21,7-9-20)16-5-4-13(2)11-18-16/h4-5,11,15,21H,3,6-10,12H2,1-2H3.
What are the key properties of 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol has a molecular weight of 303.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 56751342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).