3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

C16H14Cl2F3NO — CID 141349448

IUPAC3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(C2=CCCCC2)=NO1
InChIInChI=1S/C16H14Cl2F3NO/c17-12-6-11(7-13(18)8-12)15(16(19,20)21)9-14(22-23-15)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2
InChIKeyZRZUVXQTMOGIEE-UHFFFAOYSA-N
MW364.19 g/mol
LogP6.03
Rot. Bonds2

About 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 141349448) has the molecular formula C16H14Cl2F3NO and a molecular weight of 364.19 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID141349448
Molecular FormulaC16H14Cl2F3NO
Molecular Weight364.19 g/mol
Exact Mass363.04
IUPAC Name3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(C2=CCCCC2)=NO1
InChIInChI=1S/C16H14Cl2F3NO/c17-12-6-11(7-13(18)8-12)15(16(19,20)21)9-14(22-23-15)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2
InChIKeyZRZUVXQTMOGIEE-UHFFFAOYSA-N
XLogP6.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.19
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 141349448) is 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(C2=CCCCC2)=NO1.
What is the InChIKey of 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is ZRZUVXQTMOGIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3NO/c17-12-6-11(7-13(18)8-12)15(16(19,20)21)9-14(22-23-15)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2.
What are the key properties of 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 364.19 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 141349448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).