5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole

C10H6Cl2FNO — CID 81461787

IUPAC5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole
SMILESFc1cccc(-c2cnc(CCl)o2)c1Cl
InChIInChI=1S/C10H6Cl2FNO/c11-4-9-14-5-8(15-9)6-2-1-3-7(13)10(6)12/h1-3,5H,4H2
InChIKeyAVTNUNDAJVKUGP-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.87
Rot. Bonds2

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

5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole (PubChem CID 81461787) has the molecular formula C10H6Cl2FNO and a molecular weight of 246.07 g/mol. Its IUPAC name is 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole
PubChem CID81461787
Molecular FormulaC10H6Cl2FNO
Molecular Weight246.07 g/mol
Exact Mass244.98
IUPAC Name5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole
SMILESFc1cccc(-c2cnc(CCl)o2)c1Cl
InChIInChI=1S/C10H6Cl2FNO/c11-4-9-14-5-8(15-9)6-2-1-3-7(13)10(6)12/h1-3,5H,4H2
InChIKeyAVTNUNDAJVKUGP-UHFFFAOYSA-N
XLogP3.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81461243
3-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81461014
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 81461939
5-(2-bromo-3-methylphenyl)-2-(chloromethyl)-1,3-oxazole
CID 107984119
[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179957
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
CID 65179480
2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 65180092
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
1-[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178721

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole?
The IUPAC name of 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole (CID 81461787) is 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole is Fc1cccc(-c2cnc(CCl)o2)c1Cl.
What is the InChIKey of 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole?
The InChIKey is AVTNUNDAJVKUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNO/c11-4-9-14-5-8(15-9)6-2-1-3-7(13)10(6)12/h1-3,5H,4H2.
What are the key properties of 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole?
5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole has a molecular weight of 246.07 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole is sourced from PubChem (CID 81461787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).