2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole

C12H11ClFNO2 — CID 102885537

IUPAC2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(C)Cl)o2)c(F)c1
InChIInChI=1S/C12H11ClFNO2/c1-7(13)12-15-6-11(17-12)9-4-3-8(16-2)5-10(9)14/h3-7H,1-2H3
InChIKeyLTPLPCYEWSYNOD-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.79
Rot. Bonds3

About 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole

2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole (PubChem CID 102885537) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
PubChem CID102885537
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(C)Cl)o2)c(F)c1
InChIInChI=1S/C12H11ClFNO2/c1-7(13)12-15-6-11(17-12)9-4-3-8(16-2)5-10(9)14/h3-7H,1-2H3
InChIKeyLTPLPCYEWSYNOD-UHFFFAOYSA-N
XLogP3.79
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179645
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179983
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole
CID 93258000
5-(5-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65180104
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 102885582
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
CID 43144224
2-(1-chloroethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole
CID 65179410
1-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181194

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole (CID 102885537) is 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(C(C)Cl)o2)c(F)c1.
What is the InChIKey of 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is LTPLPCYEWSYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-7(13)12-15-6-11(17-12)9-4-3-8(16-2)5-10(9)14/h3-7H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole?
2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole has a molecular weight of 255.68 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 102885537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).