4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one

C9H12N2O3 — CID 130942307

IUPAC4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nocc1CN1CC(O)CC1=O
InChIInChI=1S/C9H12N2O3/c1-6-7(5-14-10-6)3-11-4-8(12)2-9(11)13/h5,8,12H,2-4H2,1H3
InChIKeyJHWVIMZUINYQAZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.08
Rot. Bonds2

About 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one

4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 130942307) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID130942307
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nocc1CN1CC(O)CC1=O
InChIInChI=1S/C9H12N2O3/c1-6-7(5-14-10-6)3-11-4-8(12)2-9(11)13/h5,8,12H,2-4H2,1H3
InChIKeyJHWVIMZUINYQAZ-UHFFFAOYSA-N
XLogP0.08
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one (CID 130942307) is 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one is Cc1nocc1CN1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is JHWVIMZUINYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-7(5-14-10-6)3-11-4-8(12)2-9(11)13/h5,8,12H,2-4H2,1H3.
What are the key properties of 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one?
4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(3-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130942307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).