3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole

C20H19ClF3NO — CID 91478404

IUPAC3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCCc1cc(CC)cc(C2(C(F)(F)F)C=C(c3ccc(Cl)cc3)NO2)c1
InChIInChI=1S/C20H19ClF3NO/c1-3-13-9-14(4-2)11-16(10-13)19(20(22,23)24)12-18(25-26-19)15-5-7-17(21)8-6-15/h5-12,25H,3-4H2,1-2H3
InChIKeyQXFRYLSZEQPOIP-UHFFFAOYSA-N
MW381.83 g/mol
LogP5.80
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole

3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (PubChem CID 91478404) has the molecular formula C20H19ClF3NO and a molecular weight of 381.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
PubChem CID91478404
Molecular FormulaC20H19ClF3NO
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCCc1cc(CC)cc(C2(C(F)(F)F)C=C(c3ccc(Cl)cc3)NO2)c1
InChIInChI=1S/C20H19ClF3NO/c1-3-13-9-14(4-2)11-16(10-13)19(20(22,23)24)12-18(25-26-19)15-5-7-17(21)8-6-15/h5-12,25H,3-4H2,1-2H3
InChIKeyQXFRYLSZEQPOIP-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-Chloro-2-fluorophenyl)-3-methyl-3-phenyl-2,3-dihydroisoxazole
CID 11543830
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine
CID 54207928
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine
CID 54494996
4-[5-(3,5-Dichloro-phenyl)-2-methyl-5-trifluoromethyl-2,5-dihydro-isoxazol-3-yl]-2-methyl-benzylamine
CID 67356224
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-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90703758
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-(4-methylnaphthalen-1-yl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90759721
[4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-chlorophenyl]methanamine
CID 90802308

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (CID 91478404) is 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is CCc1cc(CC)cc(C2(C(F)(F)F)C=C(c3ccc(Cl)cc3)NO2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The InChIKey is QXFRYLSZEQPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3NO/c1-3-13-9-14(4-2)11-16(10-13)19(20(22,23)24)12-18(25-26-19)15-5-7-17(21)8-6-15/h5-12,25H,3-4H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole has a molecular weight of 381.83 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is sourced from PubChem (CID 91478404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).