VLRVNHGHXLYBCY-UHFFFAOYSA-N

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

C₂₂H₁₄ClF₆N₃O₃ — CID 153431449

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]imidazo[1,5-a]pyridine-8-carboxylate

SMILESCOC(=O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12

InChIInChI=1S/C22H14ClF6N3O3/c1-34-19(33)17-5-4-16(32-11-30-10-18(17)32)3-2-15-9-20(35-31-15,22(27,28)29)12-6-13(21(24,25)26)8-14(23)7-12/h2-8,10-11H,9H2,1H3

InChIKeyVLRVNHGHXLYBCY-UHFFFAOYSA-N

MW517.81 g/mol

LogP6.04

Rot. Bonds4

About VLRVNHGHXLYBCY-UHFFFAOYSA-N

VLRVNHGHXLYBCY-UHFFFAOYSA-N (PubChem CID 153431449) has the molecular formula C₂₂H₁₄ClF₆N₃O₃ and a molecular weight of 517.81 g/mol. Its IUPAC name is methyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Name	VLRVNHGHXLYBCY-UHFFFAOYSA-N
PubChem CID	153431449
Molecular Formula	C₂₂H₁₄ClF₆N₃O₃
Molecular Weight	517.81 g/mol
Exact Mass	517.06
IUPAC Name	methyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
SMILES	COC(=O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12
InChI	InChI=1S/C22H14ClF6N3O3/c1-34-19(33)17-5-4-16(32-11-30-10-18(17)32)3-2-15-9-20(35-31-15,22(27,28)29)12-6-13(21(24,25)26)8-14(23)7-12/h2-8,10-11H,9H2,1H3
InChIKey	VLRVNHGHXLYBCY-UHFFFAOYSA-N
XLogP	6.04
TPSA	65.19 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.81
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of VLRVNHGHXLYBCY-UHFFFAOYSA-N (CID 153431449) is methyl 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.

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

The canonical SMILES for VLRVNHGHXLYBCY-UHFFFAOYSA-N is COC(=O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12.

What is the InChIKey of VLRVNHGHXLYBCY-UHFFFAOYSA-N?

The InChIKey is VLRVNHGHXLYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF6N3O3/c1-34-19(33)17-5-4-16(32-11-30-10-18(17)32)3-2-15-9-20(35-31-15,22(27,28)29)12-6-13(21(24,25)26)8-14(23)7-12/h2-8,10-11H,9H2,1H3.

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

VLRVNHGHXLYBCY-UHFFFAOYSA-N has a molecular weight of 517.81 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for VLRVNHGHXLYBCY-UHFFFAOYSA-N is sourced from PubChem (CID 153431449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 153431449 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.