(4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone

C11H16N2O3 — CID 136520423

IUPAC(4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCOC1(C)CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C11H16N2O3/c1-11(15-2)4-6-13(7-5-11)10(14)9-3-8-16-12-9/h3,8H,4-7H2,1-2H3
InChIKeyQIWOILIWFGQXCS-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.32
Rot. Bonds2

About (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone

(4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone (PubChem CID 136520423) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone
PubChem CID136520423
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCOC1(C)CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C11H16N2O3/c1-11(15-2)4-6-13(7-5-11)10(14)9-3-8-16-12-9/h3,8H,4-7H2,1-2H3
InChIKeyQIWOILIWFGQXCS-UHFFFAOYSA-N
XLogP1.32
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-Diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone
CID 24945384
tert-butyl N-[[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 56793236
N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 71968833
1-ethyl-N-(3-isoxazolylmethyl)-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72879217
1-isopropyl-N-[1-(3-isoxazolyl)ethyl]-N-methyl-4-piperidinecarboxamide
CID 72935480
N,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 46743735
1-(cyclobutylcarbonyl)-N-(3-isoxazolylmethyl)-N-methyl-4-piperidinecarboxamide
CID 72869282
3-(Piperidinocarbonyl)isoxazole
CID 61565011
1,3,3a,4,5,6,7,7a-Octahydroisoindol-2-yl(1,2-oxazol-3-yl)methanone
CID 71861401
(2-Methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone
CID 71930519
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 72128596
(2S)-N,2-dimethyl-3-morpholin-4-yl-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 100013931

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone (CID 136520423) is (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone is COC1(C)CCN(C(=O)c2ccon2)CC1.
What is the InChIKey of (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The InChIKey is QIWOILIWFGQXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(15-2)4-6-13(7-5-11)10(14)9-3-8-16-12-9/h3,8H,4-7H2,1-2H3.
What are the key properties of (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone?
(4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 136520423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).