ODFYQCREDAZNNU-UHFFFAOYSA-N

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

C₂₂H₂₀F₄N₄O₅S — CID 140894051

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

IUPACN-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

SMILESCOc1cccc(N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cc2F)C(=O)N2CCS(=O)(=O)CC2)c1

InChIInChI=1S/C22H20F4N4O5S/c1-34-17-4-2-3-16(12-17)30(21(31)29-7-9-36(32,33)10-8-29)13-15-6-5-14(11-18(15)23)19-27-28-20(35-19)22(24,25)26/h2-6,11-12H,7-10,13H2,1H3

InChIKeyODFYQCREDAZNNU-UHFFFAOYSA-N

MW528.48 g/mol

LogP3.76

Rot. Bonds5

About ODFYQCREDAZNNU-UHFFFAOYSA-N

ODFYQCREDAZNNU-UHFFFAOYSA-N (PubChem CID 140894051) has the molecular formula C₂₂H₂₀F₄N₄O₅S and a molecular weight of 528.48 g/mol. Its IUPAC name is N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name	ODFYQCREDAZNNU-UHFFFAOYSA-N
PubChem CID	140894051
Molecular Formula	C₂₂H₂₀F₄N₄O₅S
Molecular Weight	528.48 g/mol
Exact Mass	528.11
IUPAC Name	N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILES	COc1cccc(N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cc2F)C(=O)N2CCS(=O)(=O)CC2)c1
InChI	InChI=1S/C22H20F4N4O5S/c1-34-17-4-2-3-16(12-17)30(21(31)29-7-9-36(32,33)10-8-29)13-15-6-5-14(11-18(15)23)19-27-28-20(35-19)22(24,25)26/h2-6,11-12H,7-10,13H2,1H3
InChIKey	ODFYQCREDAZNNU-UHFFFAOYSA-N
XLogP	3.76
TPSA	105.84 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.48
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ODFYQCREDAZNNU-UHFFFAOYSA-N (CID 140894051) is N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

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

The canonical SMILES for ODFYQCREDAZNNU-UHFFFAOYSA-N is COc1cccc(N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cc2F)C(=O)N2CCS(=O)(=O)CC2)c1.

What is the InChIKey of ODFYQCREDAZNNU-UHFFFAOYSA-N?

The InChIKey is ODFYQCREDAZNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O5S/c1-34-17-4-2-3-16(12-17)30(21(31)29-7-9-36(32,33)10-8-29)13-15-6-5-14(11-18(15)23)19-27-28-20(35-19)22(24,25)26/h2-6,11-12H,7-10,13H2,1H3.

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

ODFYQCREDAZNNU-UHFFFAOYSA-N has a molecular weight of 528.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ODFYQCREDAZNNU-UHFFFAOYSA-N is sourced from PubChem (CID 140894051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 140894051 — identifiers, structure, computed properties (public domain)

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