1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol

C9H15N3O2 — CID 82398962

IUPAC1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
SMILESNc1cc(CN2CCCC(O)C2)on1
InChIInChI=1S/C9H15N3O2/c10-9-4-8(14-11-9)6-12-3-1-2-7(13)5-12/h4,7,13H,1-3,5-6H2,(H2,10,11)
InChIKeyKSWSPEIBMLGIEK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.21
Rot. Bonds2

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

1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol (PubChem CID 82398962) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
PubChem CID82398962
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
SMILESNc1cc(CN2CCCC(O)C2)on1
InChIInChI=1S/C9H15N3O2/c10-9-4-8(14-11-9)6-12-3-1-2-7(13)5-12/h4,7,13H,1-3,5-6H2,(H2,10,11)
InChIKeyKSWSPEIBMLGIEK-UHFFFAOYSA-N
XLogP0.21
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915
1-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 60541247
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 167916543
1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol
CID 60791980
5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95205594
N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95221283
1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56790665
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol
CID 95857196
(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol
CID 99973824
5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 42195960

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol (CID 82398962) is 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol is Nc1cc(CN2CCCC(O)C2)on1.
What is the InChIKey of 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol?
The InChIKey is KSWSPEIBMLGIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-9-4-8(14-11-9)6-12-3-1-2-7(13)5-12/h4,7,13H,1-3,5-6H2,(H2,10,11).
What are the key properties of 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol?
1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol has a molecular weight of 197.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 82398962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).