4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole

C11H9ClFNO2 — CID 65431930

IUPAC4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(F)c1-c1nc(CCl)co1
InChIInChI=1S/C11H9ClFNO2/c1-15-9-4-2-3-8(13)10(9)11-14-7(5-12)6-16-11/h2-4,6H,5H2,1H3
InChIKeyIXLDBSUCVOCOSE-UHFFFAOYSA-N
MW241.65 g/mol
LogP3.23
Rot. Bonds3

About 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole

4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole (PubChem CID 65431930) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole
PubChem CID65431930
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(F)c1-c1nc(CCl)co1
InChIInChI=1S/C11H9ClFNO2/c1-15-9-4-2-3-8(13)10(9)11-14-7(5-12)6-16-11/h2-4,6H,5H2,1H3
InChIKeyIXLDBSUCVOCOSE-UHFFFAOYSA-N
XLogP3.23
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 53.23
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

4-(chloromethyl)-2-(3-methoxythiophen-2-yl)-1,3-oxazole
CID 81119798
N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288410
5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-methoxybenzonitrile
CID 175553217
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946
4-ethyl-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842369
[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 165472079
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
1-[5-(2-fluoro-6-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65433692
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-oxazole;4-(isocyanomethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 161103222
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
CID 65432102

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole (CID 65431930) is 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole is COc1cccc(F)c1-c1nc(CCl)co1.
What is the InChIKey of 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole?
The InChIKey is IXLDBSUCVOCOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-15-9-4-2-3-8(13)10(9)11-14-7(5-12)6-16-11/h2-4,6H,5H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole?
4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole has a molecular weight of 241.65 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 65431930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).