1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone

C12H18N2O3 — CID 136511539

IUPAC1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
SMILESCC(O)C1CCN(C(=O)Cc2ccon2)CC1
InChIInChI=1S/C12H18N2O3/c1-9(15)10-2-5-14(6-3-10)12(16)8-11-4-7-17-13-11/h4,7,9-10,15H,2-3,5-6,8H2,1H3
InChIKeyFCZBANQMXBSJAG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone

1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone (PubChem CID 136511539) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
PubChem CID136511539
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
SMILESCC(O)C1CCN(C(=O)Cc2ccon2)CC1
InChIInChI=1S/C12H18N2O3/c1-9(15)10-2-5-14(6-3-10)12(16)8-11-4-7-17-13-11/h4,7,9-10,15H,2-3,5-6,8H2,1H3
InChIKeyFCZBANQMXBSJAG-UHFFFAOYSA-N
XLogP0.84
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992
2-chloro-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103881627
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
1-[(4S)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 129339841
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026613
2-(3-bromo-4-fluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111434111
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 103822577
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone (CID 136511539) is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone is CC(O)C1CCN(C(=O)Cc2ccon2)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The InChIKey is FCZBANQMXBSJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(15)10-2-5-14(6-3-10)12(16)8-11-4-7-17-13-11/h4,7,9-10,15H,2-3,5-6,8H2,1H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 136511539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).