5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole

C16H13ClFNO — CID 11543830

IUPAC5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole
SMILESCC1(c2ccccc2)C=C(c2cc(Cl)ccc2F)ON1
InChIInChI=1S/C16H13ClFNO/c1-16(11-5-3-2-4-6-11)10-15(20-19-16)13-9-12(17)7-8-14(13)18/h2-10,19H,1H3
InChIKeyCXWRPBXBCYCWHY-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.27
Rot. Bonds2

About 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole

5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole (PubChem CID 11543830) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole
PubChem CID11543830
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole
SMILESCC1(c2ccccc2)C=C(c2cc(Cl)ccc2F)ON1
InChIInChI=1S/C16H13ClFNO/c1-16(11-5-3-2-4-6-11)10-15(20-19-16)13-9-12(17)7-8-14(13)18/h2-10,19H,1H3
InChIKeyCXWRPBXBCYCWHY-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(5-Chloro-2-fluorophenyl)-3-methyl-3-phenyl-1,2-oxazol-2-yl]ethanone
CID 57539122
5-(5-Chloro-2-fluorophenyl)-3-methyl-3-phenyl-1,2-oxazole-2-carbonyl chloride
CID 57539124
1-[5-(5-Chloro-2-fluorophenyl)-3-methyl-3-phenyl-1,2-oxazol-2-yl]-2,2-dimethylpropan-1-one
CID 57539127
5-[3-(3-Chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 59262538
5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90687880
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90694416
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90718944
3-(3-chloro-4-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90729028
5-(3,5-dichlorophenyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90737890
5-(3,5-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90942717
3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91137395
3-(3-chloro-4-fluorophenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91168948

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole (CID 11543830) is 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole is CC1(c2ccccc2)C=C(c2cc(Cl)ccc2F)ON1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole?
The InChIKey is CXWRPBXBCYCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-16(11-5-3-2-4-6-11)10-15(20-19-16)13-9-12(17)7-8-14(13)18/h2-10,19H,1H3.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole?
5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole has a molecular weight of 289.74 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-methyl-3-phenyl-2H-1,2-oxazole is sourced from PubChem (CID 11543830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).