1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone

C10H14N2O2 — CID 118359439

IUPAC1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1ncc(C)o1
InChIInChI=1S/C10H14N2O2/c1-7-6-11-10(14-7)9-4-3-5-12(9)8(2)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyKGAYVXSSSFXJIR-VIFPVBQESA-N
MW194.23 g/mol
LogP1.67
Rot. Bonds1

About 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 118359439) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID118359439
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1ncc(C)o1
InChIInChI=1S/C10H14N2O2/c1-7-6-11-10(14-7)9-4-3-5-12(9)8(2)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyKGAYVXSSSFXJIR-VIFPVBQESA-N
XLogP1.67
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 18682297
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 23591393
cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
CID 139318083
1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359435
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
tert-butyl (2S)-2-[5-(bromomethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 53468363
1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 175662611
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102541564
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 42765290

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone (CID 118359439) is 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1c1ncc(C)o1.
What is the InChIKey of 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is KGAYVXSSSFXJIR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-11-10(14-7)9-4-3-5-12(9)8(2)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118359439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).