[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone

C14H22N2O4 — CID 164632721

IUPAC[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(C(C)C)nc1C(=O)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C14H22N2O4/c1-9(2)12-15-11(10(3)20-12)13(18)16-6-4-5-14(19,7-16)8-17/h9,17,19H,4-8H2,1-3H3/t14-/m0/s1
InChIKeyNVGBUGPUPFPGNI-AWEZNQCLSA-N
MW282.34 g/mol
LogP1.07
Rot. Bonds3

About [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone

[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 164632721) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID164632721
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(C(C)C)nc1C(=O)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C14H22N2O4/c1-9(2)12-15-11(10(3)20-12)13(18)16-6-4-5-14(19,7-16)8-17/h9,17,19H,4-8H2,1-3H3/t14-/m0/s1
InChIKeyNVGBUGPUPFPGNI-AWEZNQCLSA-N
XLogP1.07
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methoxy-1-{4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}propan-1-one
CID 53168360
{5-Methyl-2-[1-(tetrahydro-3-furanylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168388
3-Methoxy-1-{4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}propan-1-one
CID 53168389
3-Methoxy-1-{4-[5-methyl-4-(morpholinocarbonyl)-1,3-oxazol-2-yl]piperidino}-1-propanone
CID 53168409
1-[4-[5-Methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 53168422
(2-Isopropyl-5-methyl-1,3-oxazol-4-yl)(morpholino)methanone
CID 53195248
3-Methyl-1-{4-[5-methyl-4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-yl]piperidino}-1-butanone
CID 71819826
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71835740
4-{[2-(1-Isobutyrylpiperidin-4-yl)-5-methyl-1,3-oxazol-4-yl]carbonyl}morpholine
CID 71837671
1-{4-[5-Methyl-4-(morpholinocarbonyl)-1,3-oxazol-2-YL]piperidino}-1-butanone
CID 71837672
4-({2-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-5-methyl-1,3-oxazol-4-yl}carbonyl)morpholine
CID 71837677
{2-[1-(Cyclobutylcarbonyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-yl}(morpholino)methanone
CID 71837696

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 164632721) is [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone is Cc1oc(C(C)C)nc1C(=O)N1CCC[C@@](O)(CO)C1.
What is the InChIKey of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is NVGBUGPUPFPGNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)12-15-11(10(3)20-12)13(18)16-6-4-5-14(19,7-16)8-17/h9,17,19H,4-8H2,1-3H3/t14-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 164632721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).