[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone

C17H10Cl2FNO2 — CID 2805187

IUPAC[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H10Cl2FNO2/c1-9-14(17(22)10-5-7-11(20)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)19/h2-8H,1H3
InChIKeyKDERXCASLWMWFB-UHFFFAOYSA-N
MW350.18 g/mol
LogP5.33
Rot. Bonds3

About [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 2805187) has the molecular formula C17H10Cl2FNO2 and a molecular weight of 350.18 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID2805187
Molecular FormulaC17H10Cl2FNO2
Molecular Weight350.18 g/mol
Exact Mass349.01
IUPAC Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H10Cl2FNO2/c1-9-14(17(22)10-5-7-11(20)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)19/h2-8H,1H3
InChIKeyKDERXCASLWMWFB-UHFFFAOYSA-N
XLogP5.33
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.18
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 78212
Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CID 619436
3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
CID 2780924
5-Methyl-3-phenylisoxazole-4-carbonyl chloride
CID 85624
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 2736581
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647
3-(2-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 57780773

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone (CID 2805187) is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1ccc(F)cc1.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is KDERXCASLWMWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FNO2/c1-9-14(17(22)10-5-7-11(20)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)19/h2-8H,1H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone?
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 350.18 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 2805187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).