2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

C11H7ClF3NO — CID 57076907

IUPAC2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1cnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H7ClF3NO/c12-8-3-1-7(2-4-8)10-16-6-9(17-10)5-11(13,14)15/h1-4,6H,5H2
InChIKeyLLUWVDNXWUWFDX-UHFFFAOYSA-N
MW261.63 g/mol
LogP4.10
Rot. Bonds2

About 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (PubChem CID 57076907) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
PubChem CID57076907
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1cnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H7ClF3NO/c12-8-3-1-7(2-4-8)10-16-6-9(17-10)5-11(13,14)15/h1-4,6H,5H2
InChIKeyLLUWVDNXWUWFDX-UHFFFAOYSA-N
XLogP4.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 121205083
2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole
CID 164658936
[2-(4-fluorophenyl)-1,3-oxazol-5-yl]methanamine
CID 82075704
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
5-(2,2-dimethylpropyl)-2-(4-nitrophenyl)-1,3-oxazole
CID 172704457
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
CID 57270447
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
CID 115087405
2-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetic acid
CID 6619507
4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzonitrile
CID 624441
1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
CID 115087344

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (CID 57076907) is 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is FC(F)(F)Cc1cnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The InChIKey is LLUWVDNXWUWFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO/c12-8-3-1-7(2-4-8)10-16-6-9(17-10)5-11(13,14)15/h1-4,6H,5H2.
What are the key properties of 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole has a molecular weight of 261.63 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is sourced from PubChem (CID 57076907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).