4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one

C13H17ClN2O2 — CID 134101528

IUPAC4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one
SMILESCC(C)(C)N1CON(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)15-9-18-16(12(15)17)8-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3
InChIKeyBIZSAULUHXBICX-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.27
Rot. Bonds2

About 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one

4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one (PubChem CID 134101528) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one.

Molecular Properties

Compound Name4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one
PubChem CID134101528
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one
SMILESCC(C)(C)N1CON(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)15-9-18-16(12(15)17)8-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3
InChIKeyBIZSAULUHXBICX-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one?
The IUPAC name of 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one (CID 134101528) is 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one.
What is the SMILES notation for 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one?
The canonical SMILES for 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one is CC(C)(C)N1CON(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one?
The InChIKey is BIZSAULUHXBICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2,3)15-9-18-16(12(15)17)8-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one?
4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one has a molecular weight of 268.74 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3-chlorophenyl)methyl]-1,2,4-oxadiazolidin-3-one is sourced from PubChem (CID 134101528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).