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

C14H12Cl2N2O2 — CID 168509278

IUPAC4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H12Cl2N2O2/c15-7-9-5-13(19)18(8-9)14-6-12(17-20-14)10-1-3-11(16)4-2-10/h1-4,6,9H,5,7-8H2
InChIKeyWYHZECAROANOFI-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.59
Rot. Bonds3

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

4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one (PubChem CID 168509278) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
PubChem CID168509278
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H12Cl2N2O2/c15-7-9-5-13(19)18(8-9)14-6-12(17-20-14)10-1-3-11(16)4-2-10/h1-4,6,9H,5,7-8H2
InChIKeyWYHZECAROANOFI-UHFFFAOYSA-N
XLogP3.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.59
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-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715871
4-(aminomethyl)-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168659597
4-(bromomethyl)-1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168505960
4-ethynyl-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168501130
1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168717692
4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168662488
4-chloro-1-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168689607
methyl 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693705
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168509279

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one (CID 168509278) is 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one is O=C1CC(CCl)CN1c1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
The InChIKey is WYHZECAROANOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-7-9-5-13(19)18(8-9)14-6-12(17-20-14)10-1-3-11(16)4-2-10/h1-4,6,9H,5,7-8H2.
What are the key properties of 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one?
4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one has a molecular weight of 311.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 168509278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).