1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one

C9H12N2O3 — CID 168702623

IUPAC1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one
SMILESCc1noc(N2CC(O)CC2=O)c1C
InChIInChI=1S/C9H12N2O3/c1-5-6(2)10-14-9(5)11-4-7(12)3-8(11)13/h7,12H,3-4H2,1-2H3
InChIKeyMJHHUHYVTUPBOD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.39
Rot. Bonds1

About 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one

1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702623) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168702623
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one
SMILESCc1noc(N2CC(O)CC2=O)c1C
InChIInChI=1S/C9H12N2O3/c1-5-6(2)10-14-9(5)11-4-7(12)3-8(11)13/h7,12H,3-4H2,1-2H3
InChIKeyMJHHUHYVTUPBOD-UHFFFAOYSA-N
XLogP0.39
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-Hydroxy-3-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
CID 70554917
3-(3,4-Dimethylisoxazol-5-yl)-1,3-oxazolidin-2-one
CID 11837340
(3,5-Dimethylisoxazol-4-yl)(3-hydroxypyrrolidin-1-yl)methanone
CID 62916551
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260663
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029893
1-[1-(3,5-Dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one
CID 79237901
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxypyrrolidin-2-one
CID 79237977
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 79404285
1-(3,4-Dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82678276
(3,4-Dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 106671726
1-[3-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116372
4-Hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one
CID 130942307

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one (CID 168702623) is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one is Cc1noc(N2CC(O)CC2=O)c1C.
What is the InChIKey of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is MJHHUHYVTUPBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-6(2)10-14-9(5)11-4-7(12)3-8(11)13/h7,12H,3-4H2,1-2H3.
What are the key properties of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one?
1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).