(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one

C13H20N2O3 — CID 100928847

IUPAC(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one
SMILESCCO[C@H]1CCCC(=O)N1CCc1cc(C)no1
InChIInChI=1S/C13H20N2O3/c1-3-17-13-6-4-5-12(16)15(13)8-7-11-9-10(2)14-18-11/h9,13H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyUKDLDHWKTAKUKH-ZDUSSCGKSA-N
MW252.31 g/mol
LogP1.90
Rot. Bonds5

About (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one

(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one (PubChem CID 100928847) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one
PubChem CID100928847
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one
SMILESCCO[C@H]1CCCC(=O)N1CCc1cc(C)no1
InChIInChI=1S/C13H20N2O3/c1-3-17-13-6-4-5-12(16)15(13)8-7-11-9-10(2)14-18-11/h9,13H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyUKDLDHWKTAKUKH-ZDUSSCGKSA-N
XLogP1.90
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 100928844
1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one
CID 13048223
(4aS,8aR)-1-[2-(cyclohexen-1-yl)ethyl]-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56907754
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 133266460
(4aS,8aR)-1-[2-(methylamino)ethyl]-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56914561
6-methyl-2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927103
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771137
3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 64968254
2-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864816
5-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-methyl-1,2-oxazole
CID 126932787
N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine
CID 102633268
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788285

Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one?
The IUPAC name of (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one (CID 100928847) is (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one.
What is the SMILES notation for (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one?
The canonical SMILES for (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one is CCO[C@H]1CCCC(=O)N1CCc1cc(C)no1.
What is the InChIKey of (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one?
The InChIKey is UKDLDHWKTAKUKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-17-13-6-4-5-12(16)15(13)8-7-11-9-10(2)14-18-11/h9,13H,3-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one?
(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one has a molecular weight of 252.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 100928847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).