2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole

C12H11ClFNO — CID 43144256

IUPAC2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(C(C)Cl)oc1-c1ccc(F)cc1
InChIInChI=1S/C12H11ClFNO/c1-7(13)12-15-8(2)11(16-12)9-3-5-10(14)6-4-9/h3-7H,1-2H3
InChIKeyLUSSSWPLJGUTNC-UHFFFAOYSA-N
MW239.68 g/mol
LogP4.09
Rot. Bonds2

About 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole

2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole (PubChem CID 43144256) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole
PubChem CID43144256
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(C(C)Cl)oc1-c1ccc(F)cc1
InChIInChI=1S/C12H11ClFNO/c1-7(13)12-15-8(2)11(16-12)9-3-5-10(14)6-4-9/h3-7H,1-2H3
InChIKeyLUSSSWPLJGUTNC-UHFFFAOYSA-N
XLogP4.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 54.09
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

2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole
CID 43310151
5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834344
5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole
CID 97066799
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
3-fluoro-6-(4-fluorophenyl)-2-methylpyridine
CID 46312609
2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole
CID 54451182
ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 142959263
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144205
(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine
CID 97002571
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
CID 105457027
2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
CID 43513099

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole (CID 43144256) is 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole is Cc1nc(C(C)Cl)oc1-c1ccc(F)cc1.
What is the InChIKey of 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole?
The InChIKey is LUSSSWPLJGUTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-7(13)12-15-8(2)11(16-12)9-3-5-10(14)6-4-9/h3-7H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole?
2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole has a molecular weight of 239.68 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 43144256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).