4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one

C13H10Cl2N2O2 — CID 168689607

IUPAC4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H10Cl2N2O2/c14-8-5-12(18)17(7-8)13-6-11(16-19-13)9-3-1-2-4-10(9)15/h1-4,6,8H,5,7H2
InChIKeyFJLUDQVHSLWPAU-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.34
Rot. Bonds2

About 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one

4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one (PubChem CID 168689607) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
PubChem CID168689607
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H10Cl2N2O2/c14-8-5-12(18)17(7-8)13-6-11(16-19-13)9-3-1-2-4-10(9)15/h1-4,6,8H,5,7H2
InChIKeyFJLUDQVHSLWPAU-UHFFFAOYSA-N
XLogP3.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.34
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

4-chloro-1-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-2-one
CID 168687333
4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168509278
4-(bromomethyl)-1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168505960
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715871
methyl 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693705
4-ethynyl-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168501130
5-bromo-3-(2-chlorophenyl)-1,2-oxazole
CID 84709526
3-(2-chlorophenyl)-5-fluoro-1,2-oxazole
CID 142772559
methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693526
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 16956788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one (CID 168689607) is 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one is O=C1CC(Cl)CN1c1cc(-c2ccccc2Cl)no1.
What is the InChIKey of 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The InChIKey is FJLUDQVHSLWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-8-5-12(18)17(7-8)13-6-11(16-19-13)9-3-1-2-4-10(9)15/h1-4,6,8H,5,7H2.
What are the key properties of 4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one has a molecular weight of 297.14 g/mol, XLogP of 3.34, 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-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 168689607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).