4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one

C10H13ClN2O2 — CID 168687333

IUPAC4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1cc(N2CC(Cl)CC2=O)on1
InChIInChI=1S/C10H13ClN2O2/c1-6(2)8-4-10(15-12-8)13-5-7(11)3-9(13)14/h4,6-7H,3,5H2,1-2H3
InChIKeyGKHPMYCLCVJKAY-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.14
Rot. Bonds2

About 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one

4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one (PubChem CID 168687333) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one
PubChem CID168687333
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1cc(N2CC(Cl)CC2=O)on1
InChIInChI=1S/C10H13ClN2O2/c1-6(2)8-4-10(15-12-8)13-5-7(11)3-9(13)14/h4,6-7H,3,5H2,1-2H3
InChIKeyGKHPMYCLCVJKAY-UHFFFAOYSA-N
XLogP2.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

S-[5-oxo-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-3-yl] ethanethioate
CID 168704765
4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168689607
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168687326
4-(bromomethyl)-1-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-2-one
CID 168503921
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
CID 168688290
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
4-chloro-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168687334
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
1-(2-bromo-5-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one (CID 168687333) is 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one is CC(C)c1cc(N2CC(Cl)CC2=O)on1.
What is the InChIKey of 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one?
The InChIKey is GKHPMYCLCVJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6(2)8-4-10(15-12-8)13-5-7(11)3-9(13)14/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one?
4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one has a molecular weight of 228.68 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168687333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).