2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole

C12H11Cl2NO — CID 43144310

IUPAC2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(CCCl)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2NO/c1-8-12(16-11(15-8)6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeyPZFXJRWAHRRSIY-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.08
Rot. Bonds3

About 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole

2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole (PubChem CID 43144310) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
PubChem CID43144310
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(CCCl)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2NO/c1-8-12(16-11(15-8)6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeyPZFXJRWAHRRSIY-UHFFFAOYSA-N
XLogP4.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole (CID 43144310) is 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole is Cc1nc(CCCl)oc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The InChIKey is PZFXJRWAHRRSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-8-12(16-11(15-8)6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole has a molecular weight of 256.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 43144310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).