2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one

C11H13ClN2O2 — CID 117061973

IUPAC2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one
SMILESCC1ON(Cc2ccccc2Cl)C(=O)N1C
InChIInChI=1S/C11H13ClN2O2/c1-8-13(2)11(15)14(16-8)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChIKeyHKZFSFNKHMCVKJ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.48
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one

2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one (PubChem CID 117061973) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one
PubChem CID117061973
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one
SMILESCC1ON(Cc2ccccc2Cl)C(=O)N1C
InChIInChI=1S/C11H13ClN2O2/c1-8-13(2)11(15)14(16-8)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChIKeyHKZFSFNKHMCVKJ-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid
CID 54103756
5-but-3-enoxy-2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 54172376
1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
CID 43236228
(15S,19R)-17-[(2-chlorophenyl)methyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1317679
7-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-4-methyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 73284326
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
CID 175057356
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-5H-purin-7-ium-2,6-dione
CID 78206693
(3S,6S)-1-[(3-chloro-2-fluorophenyl)methyl]-3,4,6-trimethylpiperazine-2,5-dione
CID 165418889
1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 117060733

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one (CID 117061973) is 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one is CC1ON(Cc2ccccc2Cl)C(=O)N1C.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one?
The InChIKey is HKZFSFNKHMCVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-8-13(2)11(15)14(16-8)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one?
2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one has a molecular weight of 240.69 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one is sourced from PubChem (CID 117061973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).