JGJSRGPFUIFYPM-UHFFFAOYSA-N

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

C₂₁H₁₄F₆N₄O₂ — CID 118453546

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

IUPAC3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide

SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12

InChIInChI=1S/C21H14F6N4O2/c1-11-15(10-33-30-11)19(32)28-18-14-3-2-4-16(21(25,26)27)17(14)31(29-18)9-12-5-7-13(8-6-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,28,29,32)

InChIKeyJGJSRGPFUIFYPM-UHFFFAOYSA-N

MW468.36 g/mol

LogP5.67

Rot. Bonds4

About JGJSRGPFUIFYPM-UHFFFAOYSA-N

JGJSRGPFUIFYPM-UHFFFAOYSA-N (PubChem CID 118453546) has the molecular formula C₂₁H₁₄F₆N₄O₂ and a molecular weight of 468.36 g/mol. Its IUPAC name is 3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name	JGJSRGPFUIFYPM-UHFFFAOYSA-N
PubChem CID	118453546
Molecular Formula	C₂₁H₁₄F₆N₄O₂
Molecular Weight	468.36 g/mol
Exact Mass	468.10
IUPAC Name	3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILES	Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12
InChI	InChI=1S/C21H14F6N4O2/c1-11-15(10-33-30-11)19(32)28-18-14-3-2-4-16(21(25,26)27)17(14)31(29-18)9-12-5-7-13(8-6-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,28,29,32)
InChIKey	JGJSRGPFUIFYPM-UHFFFAOYSA-N
XLogP	5.67
TPSA	72.95 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.36
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of JGJSRGPFUIFYPM-UHFFFAOYSA-N (CID 118453546) is 3-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for JGJSRGPFUIFYPM-UHFFFAOYSA-N is Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.

What is the InChIKey of JGJSRGPFUIFYPM-UHFFFAOYSA-N?

The InChIKey is JGJSRGPFUIFYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N4O2/c1-11-15(10-33-30-11)19(32)28-18-14-3-2-4-16(21(25,26)27)17(14)31(29-18)9-12-5-7-13(8-6-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,28,29,32).

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

JGJSRGPFUIFYPM-UHFFFAOYSA-N has a molecular weight of 468.36 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for JGJSRGPFUIFYPM-UHFFFAOYSA-N is sourced from PubChem (CID 118453546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118453546 — identifiers, structure, computed properties (public domain)

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