4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one

C8H9ClN2O2 — CID 168688847

IUPAC4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1Cc1ccon1
InChIInChI=1S/C8H9ClN2O2/c9-6-3-8(12)11(4-6)5-7-1-2-13-10-7/h1-2,6H,3-5H2
InChIKeyFXOPKEKHLYIULX-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.01
Rot. Bonds2

About 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one

4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one (PubChem CID 168688847) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one
PubChem CID168688847
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1Cc1ccon1
InChIInChI=1S/C8H9ClN2O2/c9-6-3-8(12)11(4-6)5-7-1-2-13-10-7/h1-2,6H,3-5H2
InChIKeyFXOPKEKHLYIULX-UHFFFAOYSA-N
XLogP1.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.01
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

[1-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673856
5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione
CID 81173664
1-(1,2-oxazol-3-ylmethyl)pyrrolidine-2,3-dione
CID 81176806
4-chloro-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 168688320
1-[(2-bromophenyl)methyl]-4-chloropyrrolidin-2-one
CID 168688744
4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746
4-chloro-1-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168688729
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72936014
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 168688256
1-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]ethanone
CID 71983377
1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 81174153
1-[(4-amino-3-methylphenyl)methyl]-4-chloropyrrolidin-2-one
CID 168688020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one (CID 168688847) is 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one is O=C1CC(Cl)CN1Cc1ccon1.
What is the InChIKey of 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is FXOPKEKHLYIULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-3-8(12)11(4-6)5-7-1-2-13-10-7/h1-2,6H,3-5H2.
What are the key properties of 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one?
4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 200.62 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168688847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).