4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one

C7H9N3O3 — CID 168702786

IUPAC4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
SMILESCc1nnc(N2CC(O)CC2=O)o1
InChIInChI=1S/C7H9N3O3/c1-4-8-9-7(13-4)10-3-5(11)2-6(10)12/h5,11H,2-3H2,1H3
InChIKeyXQLQIQLZJWJTHV-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.52
Rot. Bonds1

About 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one

4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one (PubChem CID 168702786) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
PubChem CID168702786
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
SMILESCc1nnc(N2CC(O)CC2=O)o1
InChIInChI=1S/C7H9N3O3/c1-4-8-9-7(13-4)10-3-5(11)2-6(10)12/h5,11H,2-3H2,1H3
InChIKeyXQLQIQLZJWJTHV-UHFFFAOYSA-N
XLogP-0.52
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol
CID 130621915
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
CID 168702768
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
CID 168702765
ethyl 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3,4-oxadiazole-2-carboxylate
CID 168687503
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168500301
4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168703466
4-amino-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 168699233

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one (CID 168702786) is 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one is Cc1nnc(N2CC(O)CC2=O)o1.
What is the InChIKey of 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
The InChIKey is XQLQIQLZJWJTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-8-9-7(13-4)10-3-5(11)2-6(10)12/h5,11H,2-3H2,1H3.
What are the key properties of 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one has a molecular weight of 183.17 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168702786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).