MIQQJFMNQUYWCY-UHFFFAOYSA-N

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

C₂₂H₂₃FN₄O₃S — CID 118382606

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

IUPAC6-(6-fluoro-1H-indol-3-yl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazole

SMILESCS(=O)(=O)N1CCN(CCc2nc3ccc(-c4c[nH]c5cc(F)ccc45)cc3o2)CC1

InChIInChI=1S/C22H23FN4O3S/c1-31(28,29)27-10-8-26(9-11-27)7-6-22-25-19-5-2-15(12-21(19)30-22)18-14-24-20-13-16(23)3-4-17(18)20/h2-5,12-14,24H,6-11H2,1H3

InChIKeyMIQQJFMNQUYWCY-UHFFFAOYSA-N

MW442.52 g/mol

LogP3.23

Rot. Bonds5

About MIQQJFMNQUYWCY-UHFFFAOYSA-N

MIQQJFMNQUYWCY-UHFFFAOYSA-N (PubChem CID 118382606) has the molecular formula C₂₂H₂₃FN₄O₃S and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-(6-fluoro-1H-indol-3-yl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name	MIQQJFMNQUYWCY-UHFFFAOYSA-N
PubChem CID	118382606
Molecular Formula	C₂₂H₂₃FN₄O₃S
Molecular Weight	442.52 g/mol
Exact Mass	442.15
IUPAC Name	6-(6-fluoro-1H-indol-3-yl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazole
SMILES	CS(=O)(=O)N1CCN(CCc2nc3ccc(-c4c[nH]c5cc(F)ccc45)cc3o2)CC1
InChI	InChI=1S/C22H23FN4O3S/c1-31(28,29)27-10-8-26(9-11-27)7-6-22-25-19-5-2-15(12-21(19)30-22)18-14-24-20-13-16(23)3-4-17(18)20/h2-5,12-14,24H,6-11H2,1H3
InChIKey	MIQQJFMNQUYWCY-UHFFFAOYSA-N
XLogP	3.23
TPSA	82.44 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of MIQQJFMNQUYWCY-UHFFFAOYSA-N (CID 118382606) is 6-(6-fluoro-1H-indol-3-yl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazole.

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

The canonical SMILES for MIQQJFMNQUYWCY-UHFFFAOYSA-N is CS(=O)(=O)N1CCN(CCc2nc3ccc(-c4c[nH]c5cc(F)ccc45)cc3o2)CC1.

What is the InChIKey of MIQQJFMNQUYWCY-UHFFFAOYSA-N?

The InChIKey is MIQQJFMNQUYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-31(28,29)27-10-8-26(9-11-27)7-6-22-25-19-5-2-15(12-21(19)30-22)18-14-24-20-13-16(23)3-4-17(18)20/h2-5,12-14,24H,6-11H2,1H3.

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

MIQQJFMNQUYWCY-UHFFFAOYSA-N has a molecular weight of 442.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MIQQJFMNQUYWCY-UHFFFAOYSA-N is sourced from PubChem (CID 118382606), 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 118382606 — 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.