2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole

C11H8Cl2FNO — CID 43144224

IUPAC2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H8Cl2FNO/c1-6(12)11-15-5-10(16-11)7-2-3-9(14)8(13)4-7/h2-6H,1H3
InChIKeyXFSWCRCZMHJJJG-UHFFFAOYSA-N
MW260.10 g/mol
LogP4.43
Rot. Bonds2

About 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole

2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole (PubChem CID 43144224) has the molecular formula C11H8Cl2FNO and a molecular weight of 260.10 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
PubChem CID43144224
Molecular FormulaC11H8Cl2FNO
Molecular Weight260.10 g/mol
Exact Mass259.00
IUPAC Name2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H8Cl2FNO/c1-6(12)11-15-5-10(16-11)7-2-3-9(14)8(13)4-7/h2-6H,1H3
InChIKeyXFSWCRCZMHJJJG-UHFFFAOYSA-N
XLogP4.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 93258003
2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole
CID 93258000
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107994722
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
5-(5-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65180104
5-(4-butan-2-ylphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 102537709
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole
CID 65180218
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179983
2-(1-chloroethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 43326970
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181487

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole (CID 43144224) is 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole is CC(Cl)c1ncc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole?
The InChIKey is XFSWCRCZMHJJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FNO/c1-6(12)11-15-5-10(16-11)7-2-3-9(14)8(13)4-7/h2-6H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole?
2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole has a molecular weight of 260.10 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 43144224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).