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

C10H6Cl2FNO — CID 164658936

IUPAC2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole
SMILESFc1ccc(-c2ncc(CCl)o2)cc1Cl
InChIInChI=1S/C10H6Cl2FNO/c11-4-7-5-14-10(15-7)6-1-2-9(13)8(12)3-6/h1-3,5H,4H2
InChIKeyUEPOQHBTBRFMOY-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.87
Rot. Bonds2

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

2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole (PubChem CID 164658936) has the molecular formula C10H6Cl2FNO and a molecular weight of 246.07 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole
PubChem CID164658936
Molecular FormulaC10H6Cl2FNO
Molecular Weight246.07 g/mol
Exact Mass244.98
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole
SMILESFc1ccc(-c2ncc(CCl)o2)cc1Cl
InChIInChI=1S/C10H6Cl2FNO/c11-4-7-5-14-10(15-7)6-1-2-9(13)8(12)3-6/h1-3,5H,4H2
InChIKeyUEPOQHBTBRFMOY-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'}

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Related Compounds

5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 121205083
2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 57076907
5-(3-chloro-4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
CID 82878925
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
3-(bromomethyl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 130536141
5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619602
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
CID 43144224
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole (CID 164658936) is 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole is Fc1ccc(-c2ncc(CCl)o2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole?
The InChIKey is UEPOQHBTBRFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNO/c11-4-7-5-14-10(15-7)6-1-2-9(13)8(12)3-6/h1-3,5H,4H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole?
2-(3-chloro-4-fluorophenyl)-5-(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 2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole is sourced from PubChem (CID 164658936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).