LSRKPGFPQIOQHA-UHFFFAOYSA-N

Name: LSRKPGFPQIOQHA-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₁₅ClF₆N₂O₃ — CID 153431450

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate

SMILESCOC(=O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12

InChIInChI=1S/C23H15ClF6N2O3/c1-34-20(33)18-7-6-17(32-8-2-3-19(18)32)5-4-16-12-21(35-31-16,23(28,29)30)13-9-14(22(25,26)27)11-15(24)10-13/h2-11H,12H2,1H3

InChIKeyLSRKPGFPQIOQHA-UHFFFAOYSA-N

MW516.83 g/mol

LogP6.65

Rot. Bonds4

About LSRKPGFPQIOQHA-UHFFFAOYSA-N

LSRKPGFPQIOQHA-UHFFFAOYSA-N (PubChem CID 153431450) has the molecular formula C₂₃H₁₅ClF₆N₂O₃ and a molecular weight of 516.83 g/mol. Its IUPAC name is methyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate.

Molecular Properties

Compound Name	LSRKPGFPQIOQHA-UHFFFAOYSA-N
PubChem CID	153431450
Molecular Formula	C₂₃H₁₅ClF₆N₂O₃
Molecular Weight	516.83 g/mol
Exact Mass	516.07
IUPAC Name	methyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate
SMILES	COC(=O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12
InChI	InChI=1S/C23H15ClF6N2O3/c1-34-20(33)18-7-6-17(32-8-2-3-19(18)32)5-4-16-12-21(35-31-16,23(28,29)30)13-9-14(22(25,26)27)11-15(24)10-13/h2-11H,12H2,1H3
InChIKey	LSRKPGFPQIOQHA-UHFFFAOYSA-N
XLogP	6.65
TPSA	52.30 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.83
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of LSRKPGFPQIOQHA-UHFFFAOYSA-N?

The IUPAC name of LSRKPGFPQIOQHA-UHFFFAOYSA-N (CID 153431450) is methyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]indolizine-8-carboxylate.

What is the SMILES notation for LSRKPGFPQIOQHA-UHFFFAOYSA-N?

The canonical SMILES for LSRKPGFPQIOQHA-UHFFFAOYSA-N is COC(=O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cccc12.

What is the InChIKey of LSRKPGFPQIOQHA-UHFFFAOYSA-N?

The InChIKey is LSRKPGFPQIOQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF6N2O3/c1-34-20(33)18-7-6-17(32-8-2-3-19(18)32)5-4-16-12-21(35-31-16,23(28,29)30)13-9-14(22(25,26)27)11-15(24)10-13/h2-11H,12H2,1H3.

What are the key properties of LSRKPGFPQIOQHA-UHFFFAOYSA-N?

LSRKPGFPQIOQHA-UHFFFAOYSA-N has a molecular weight of 516.83 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for LSRKPGFPQIOQHA-UHFFFAOYSA-N is sourced from PubChem (CID 153431450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 153431450 — identifiers, structure, computed properties (public domain)

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