ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate

C16H25N3O4 — CID 70704972

IUPACethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(N3CCC(O)CC3)CC2)n1
InChIInChI=1S/C16H25N3O4/c1-2-22-15(21)14-11-23-16(17-14)19-7-3-12(4-8-19)18-9-5-13(20)6-10-18/h11-13,20H,2-10H2,1H3
InChIKeyOEZDDBRTIUEIKO-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.28
Rot. Bonds4

About ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 70704972) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID70704972
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(N3CCC(O)CC3)CC2)n1
InChIInChI=1S/C16H25N3O4/c1-2-22-15(21)14-11-23-16(17-14)19-7-3-12(4-8-19)18-9-5-13(20)6-10-18/h11-13,20H,2-10H2,1H3
InChIKeyOEZDDBRTIUEIKO-UHFFFAOYSA-N
XLogP1.28
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[3-(methylcarbamoyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 104530088
ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 69360773
ethyl 2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 107393013
2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377261
ethyl 2-[(3aS,4S,5S,7aR)-4-ethoxycarbonyl-5-methyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]-1,3-oxazole-4-carboxylate
CID 154822713
ethyl 2-(3-ethylmorpholin-4-yl)-1,3-oxazole-4-carboxylate
CID 113377140
ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate
CID 113376944
ethyl 2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-oxazole-4-carboxylate
CID 146045185
ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
CID 95560858
ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
CID 90291472
ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70775705
2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70845901

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate (CID 70704972) is ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCC(N3CCC(O)CC3)CC2)n1.
What is the InChIKey of ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is OEZDDBRTIUEIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-2-22-15(21)14-11-23-16(17-14)19-7-3-12(4-8-19)18-9-5-13(20)6-10-18/h11-13,20H,2-10H2,1H3.
What are the key properties of ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70704972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).