JUFKVLXKARDUPS-UHFFFAOYSA-N

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

C₂₀H₁₆F₃N₃O₂ — CID 118161956

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

IUPAC3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

SMILESCC(C)c1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12

InChIInChI=1S/C20H16F3N3O2/c1-12(2)18-24-9-10-26(18)19-16-11-14(5-8-17(16)28-25-19)13-3-6-15(7-4-13)27-20(21,22)23/h3-12H,1-2H3

InChIKeyJUFKVLXKARDUPS-UHFFFAOYSA-N

MW387.36 g/mol

LogP5.70

Rot. Bonds4

About JUFKVLXKARDUPS-UHFFFAOYSA-N

JUFKVLXKARDUPS-UHFFFAOYSA-N (PubChem CID 118161956) has the molecular formula C₂₀H₁₆F₃N₃O₂ and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

Compound Name	JUFKVLXKARDUPS-UHFFFAOYSA-N
PubChem CID	118161956
Molecular Formula	C₂₀H₁₆F₃N₃O₂
Molecular Weight	387.36 g/mol
Exact Mass	387.12
IUPAC Name	3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
SMILES	CC(C)c1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChI	InChI=1S/C20H16F3N3O2/c1-12(2)18-24-9-10-26(18)19-16-11-14(5-8-17(16)28-25-19)13-3-6-15(7-4-13)27-20(21,22)23/h3-12H,1-2H3
InChIKey	JUFKVLXKARDUPS-UHFFFAOYSA-N
XLogP	5.70
TPSA	53.08 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.36
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of JUFKVLXKARDUPS-UHFFFAOYSA-N (CID 118161956) is 3-(2-propan-2-ylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

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

The canonical SMILES for JUFKVLXKARDUPS-UHFFFAOYSA-N is CC(C)c1nccn1-c1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.

What is the InChIKey of JUFKVLXKARDUPS-UHFFFAOYSA-N?

The InChIKey is JUFKVLXKARDUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12(2)18-24-9-10-26(18)19-16-11-14(5-8-17(16)28-25-19)13-3-6-15(7-4-13)27-20(21,22)23/h3-12H,1-2H3.

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

JUFKVLXKARDUPS-UHFFFAOYSA-N has a molecular weight of 387.36 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for JUFKVLXKARDUPS-UHFFFAOYSA-N is sourced from PubChem (CID 118161956), 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 118161956 — identifiers, structure, computed properties (public domain)

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