2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole

C11H9Cl2NO — CID 93258003

IUPAC2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESC[C@@H](Cl)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H9Cl2NO/c1-7(12)11-14-6-10(15-11)8-2-4-9(13)5-3-8/h2-7H,1H3/t7-/m1/s1
InChIKeyXKCNPRPSWNAOPX-SSDOTTSWSA-N
MW242.11 g/mol
LogP4.29
Rot. Bonds2

About 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole

2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole (PubChem CID 93258003) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
PubChem CID93258003
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESC[C@@H](Cl)c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H9Cl2NO/c1-7(12)11-14-6-10(15-11)8-2-4-9(13)5-3-8/h2-7H,1H3/t7-/m1/s1
InChIKeyXKCNPRPSWNAOPX-SSDOTTSWSA-N
XLogP4.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 54.29
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-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole (CID 93258003) is 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole is C[C@@H](Cl)c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is XKCNPRPSWNAOPX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-7(12)11-14-6-10(15-11)8-2-4-9(13)5-3-8/h2-7H,1H3/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole?
2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 242.11 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 93258003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).