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

C11H8Cl2FNO — CID 65179480

IUPAC2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
SMILESFc1cc(Cl)ccc1-c1cnc(CCCl)o1
InChIInChI=1S/C11H8Cl2FNO/c12-4-3-11-15-6-10(16-11)8-2-1-7(13)5-9(8)14/h1-2,5-6H,3-4H2
InChIKeyFMFGUPFUIOTJQM-UHFFFAOYSA-N
MW260.10 g/mol
LogP3.92
Rot. Bonds3

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

2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole (PubChem CID 65179480) has the molecular formula C11H8Cl2FNO and a molecular weight of 260.10 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
PubChem CID65179480
Molecular FormulaC11H8Cl2FNO
Molecular Weight260.10 g/mol
Exact Mass259.00
IUPAC Name2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
SMILESFc1cc(Cl)ccc1-c1cnc(CCCl)o1
InChIInChI=1S/C11H8Cl2FNO/c12-4-3-11-15-6-10(16-11)8-2-1-7(13)5-9(8)14/h1-2,5-6H,3-4H2
InChIKeyFMFGUPFUIOTJQM-UHFFFAOYSA-N
XLogP3.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 53.92
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

3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178598
2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
CID 65179486
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179612
5-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65180226
3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 107994673
2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole
CID 83125150
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
2-[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183095
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole (CID 65179480) is 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole is Fc1cc(Cl)ccc1-c1cnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole?
The InChIKey is FMFGUPFUIOTJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FNO/c12-4-3-11-15-6-10(16-11)8-2-1-7(13)5-9(8)14/h1-2,5-6H,3-4H2.
What are the key properties of 2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole?
2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole has a molecular weight of 260.10 g/mol, XLogP of 3.92, 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-chloro-2-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 65179480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).