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

C10H9ClFNO — CID 57128721

IUPAC5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(CCl)ON2)cc1
InChIInChI=1S/C10H9ClFNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5,9,13H,6H2
InChIKeyPDJGTDYRLXTMTE-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.31
Rot. Bonds2

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

5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57128721) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57128721
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(CCl)ON2)cc1
InChIInChI=1S/C10H9ClFNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5,9,13H,6H2
InChIKeyPDJGTDYRLXTMTE-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

o-(2-Chloroethyl)-n-(4-fluorobenzyl)-hydroxylamine
CID 23499569
3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole
CID 91179463
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91220190
3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole
CID 91239341
(5R)-5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91447040
3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
CID 91587883
(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine
CID 123464172
5-Methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123667564
2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole
CID 173143956
2-bromo-3-(3-fluorophenyl)-5-methyl-5H-1,2-oxazole
CID 173152978
2-bromo-3-(2-fluorophenyl)-5-methyl-5H-1,2-oxazole
CID 173153009
3-Phenyl-2,5-dihydro-1,2-oxazole
CID 14642163

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (CID 57128721) is 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2=CC(CCl)ON2)cc1.
What is the InChIKey of 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is PDJGTDYRLXTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5,9,13H,6H2.
What are the key properties of 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 213.64 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57128721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).