JKNOZXQDFOTCGC-UHFFFAOYSA-N

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

C₂₀H₁₃F₄N₅O₂ — CID 146220493

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

IUPAC5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

SMILESO=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2F)on1

InChIInChI=1S/C20H13F4N5O2/c21-16-4-2-1-3-14(16)18-7-17(28-31-18)19(30)27-13-9-26-29(11-13)10-12-8-25-6-5-15(12)20(22,23)24/h1-9,11H,10H2,(H,27,30)

InChIKeyJKNOZXQDFOTCGC-UHFFFAOYSA-N

MW431.35 g/mol

LogP4.39

Rot. Bonds5

About JKNOZXQDFOTCGC-UHFFFAOYSA-N

JKNOZXQDFOTCGC-UHFFFAOYSA-N (PubChem CID 146220493) has the molecular formula C₂₀H₁₃F₄N₅O₂ and a molecular weight of 431.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name	JKNOZXQDFOTCGC-UHFFFAOYSA-N
PubChem CID	146220493
Molecular Formula	C₂₀H₁₃F₄N₅O₂
Molecular Weight	431.35 g/mol
Exact Mass	431.10
IUPAC Name	5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILES	O=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2F)on1
InChI	InChI=1S/C20H13F4N5O2/c21-16-4-2-1-3-14(16)18-7-17(28-31-18)19(30)27-13-9-26-29(11-13)10-12-8-25-6-5-15(12)20(22,23)24/h1-9,11H,10H2,(H,27,30)
InChIKey	JKNOZXQDFOTCGC-UHFFFAOYSA-N
XLogP	4.39
TPSA	85.84 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.35
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of JKNOZXQDFOTCGC-UHFFFAOYSA-N (CID 146220493) is 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for JKNOZXQDFOTCGC-UHFFFAOYSA-N is O=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2F)on1.

What is the InChIKey of JKNOZXQDFOTCGC-UHFFFAOYSA-N?

The InChIKey is JKNOZXQDFOTCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c21-16-4-2-1-3-14(16)18-7-17(28-31-18)19(30)27-13-9-26-29(11-13)10-12-8-25-6-5-15(12)20(22,23)24/h1-9,11H,10H2,(H,27,30).

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

JKNOZXQDFOTCGC-UHFFFAOYSA-N has a molecular weight of 431.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for JKNOZXQDFOTCGC-UHFFFAOYSA-N is sourced from PubChem (CID 146220493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146220493 — identifiers, structure, computed properties (public domain)

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