5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid

C19H11Cl2F3N2O3 — CID 123492313

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid
SMILESO=C(O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)n2cccc12
InChIInChI=1S/C19H11Cl2F3N2O3/c20-11-6-10(7-12(21)8-11)18(19(22,23)24)9-14(25-29-18)16-4-3-13(17(27)28)15-2-1-5-26(15)16/h1-9,25H,(H,27,28)
InChIKeyWFQLMUZBLVPJTP-UHFFFAOYSA-N
MW443.21 g/mol
LogP5.28
Rot. Bonds3

About 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid (PubChem CID 123492313) has the molecular formula C19H11Cl2F3N2O3 and a molecular weight of 443.21 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid
PubChem CID123492313
Molecular FormulaC19H11Cl2F3N2O3
Molecular Weight443.21 g/mol
Exact Mass442.01
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid
SMILESO=C(O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)n2cccc12
InChIInChI=1S/C19H11Cl2F3N2O3/c20-11-6-10(7-12(21)8-11)18(19(22,23)24)9-14(25-29-18)16-4-3-13(17(27)28)15-2-1-5-26(15)16/h1-9,25H,(H,27,28)
InChIKeyWFQLMUZBLVPJTP-UHFFFAOYSA-N
XLogP5.28
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.21
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Aminomethyl)-2-[4-(trifluoromethyl)phenyl]indolizine-1-carboxylic acid
CID 137635341
4-[3-(2,6-Dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid
CID 155529484
N-[2-Oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-5-[5-(trifluoromethyl)-5-(3,5-dichlorophenyl)-2-isoxazoline-3-yl]indolizine-8-carboxamide
CID 53252789
1-[(5-Chloropyridin-2-yl)methyl]-5-(trifluoromethyl)indole-7-carboxylic acid
CID 58306384
1-[(6-Chloropyridin-2-yl)methyl]-5-(trifluoromethyl)indole-7-carboxylic acid
CID 58306951
5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid
CID 58319039
5-[5-(3,5-Dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-1,3-dimethylindolizine-8-carboxylic acid
CID 58319046
methyl 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,3-dimethylindolizine-8-carboxylate
CID 58319066
1-(2-amino-1-methylsulfanyl-2-oxoethyl)-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid
CID 67247270
5-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxylic acid
CID 67247370
6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid
CID 67374274
1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]isoquinoline-4-carboxylic acid
CID 68227840

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid (CID 123492313) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid is O=C(O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)n2cccc12.
What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid?
The InChIKey is WFQLMUZBLVPJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N2O3/c20-11-6-10(7-12(21)8-11)18(19(22,23)24)9-14(25-29-18)16-4-3-13(17(27)28)15-2-1-5-26(15)16/h1-9,25H,(H,27,28).
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid has a molecular weight of 443.21 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid is sourced from PubChem (CID 123492313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).