2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide

C12H10Cl2N2O2 — CID 1477188

IUPAC2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESO=C(CCl)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H10Cl2N2O2/c13-6-12(17)15-7-10-5-11(16-18-10)8-1-3-9(14)4-2-8/h1-5H,6-7H2,(H,15,17)
InChIKeyUQMGWSHJWYKFGS-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide

2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 1477188) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID1477188
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESO=C(CCl)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H10Cl2N2O2/c13-6-12(17)15-7-10-5-11(16-18-10)8-1-3-9(14)4-2-8/h1-5H,6-7H2,(H,15,17)
InChIKeyUQMGWSHJWYKFGS-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 1477188) is 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide is O=C(CCl)NCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is UQMGWSHJWYKFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c13-6-12(17)15-7-10-5-11(16-18-10)8-1-3-9(14)4-2-8/h1-5H,6-7H2,(H,15,17).
What are the key properties of 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 285.13 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 1477188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).