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

C18H11Cl2F3N2O — CID 141440591

IUPAC5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2cccc3cccn23)=NO1
InChIInChI=1S/C18H11Cl2F3N2O/c19-12-7-11(8-13(20)9-12)17(18(21,22)23)10-15(24-26-17)16-5-1-3-14-4-2-6-25(14)16/h1-9H,10H2
InChIKeyOVDNFKCPYYLFPT-UHFFFAOYSA-N
MW399.20 g/mol
LogP5.83
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 141440591) has the molecular formula C18H11Cl2F3N2O and a molecular weight of 399.20 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID141440591
Molecular FormulaC18H11Cl2F3N2O
Molecular Weight399.20 g/mol
Exact Mass398.02
IUPAC Name5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2cccc3cccn23)=NO1
InChIInChI=1S/C18H11Cl2F3N2O/c19-12-7-11(8-13(20)9-12)17(18(21,22)23)10-15(24-26-17)16-5-1-3-14-4-2-6-25(14)16/h1-9H,10H2
InChIKeyOVDNFKCPYYLFPT-UHFFFAOYSA-N
XLogP5.83
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.20
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 141440591) is 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2cccc3cccn23)=NO1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is OVDNFKCPYYLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2O/c19-12-7-11(8-13(20)9-12)17(18(21,22)23)10-15(24-26-17)16-5-1-3-14-4-2-6-25(14)16/h1-9H,10H2.
What are the key properties of 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 399.20 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 141440591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).