PSWNDTMQCQCITD-GFCCVEGCSA-N

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

C₂₂H₁₅F₆N₅O₂ — CID 148966177

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

IUPACN-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide

SMILESC[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)no2)cn1

InChIInChI=1S/C22H15F6N5O2/c1-12(15-6-5-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(10-30-33)31-20(34)19-9-18(32-35-19)17-4-2-3-7-29-17/h2-12H,1H3,(H,31,34)/t12-/m1/s1

InChIKeyPSWNDTMQCQCITD-GFCCVEGCSA-N

MW495.38 g/mol

LogP5.83

Rot. Bonds5

About PSWNDTMQCQCITD-GFCCVEGCSA-N

PSWNDTMQCQCITD-GFCCVEGCSA-N (PubChem CID 148966177) has the molecular formula C₂₂H₁₅F₆N₅O₂ and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name	PSWNDTMQCQCITD-GFCCVEGCSA-N
PubChem CID	148966177
Molecular Formula	C₂₂H₁₅F₆N₅O₂
Molecular Weight	495.38 g/mol
Exact Mass	495.11
IUPAC Name	N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
SMILES	C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)no2)cn1
InChI	InChI=1S/C22H15F6N5O2/c1-12(15-6-5-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(10-30-33)31-20(34)19-9-18(32-35-19)17-4-2-3-7-29-17/h2-12H,1H3,(H,31,34)/t12-/m1/s1
InChIKey	PSWNDTMQCQCITD-GFCCVEGCSA-N
XLogP	5.83
TPSA	85.84 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.38
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of PSWNDTMQCQCITD-GFCCVEGCSA-N?

The IUPAC name of PSWNDTMQCQCITD-GFCCVEGCSA-N (CID 148966177) is N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for PSWNDTMQCQCITD-GFCCVEGCSA-N?

The canonical SMILES for PSWNDTMQCQCITD-GFCCVEGCSA-N is C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)no2)cn1.

What is the InChIKey of PSWNDTMQCQCITD-GFCCVEGCSA-N?

The InChIKey is PSWNDTMQCQCITD-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H15F6N5O2/c1-12(15-6-5-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(10-30-33)31-20(34)19-9-18(32-35-19)17-4-2-3-7-29-17/h2-12H,1H3,(H,31,34)/t12-/m1/s1.

What are the key properties of PSWNDTMQCQCITD-GFCCVEGCSA-N?

PSWNDTMQCQCITD-GFCCVEGCSA-N has a molecular weight of 495.38 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for PSWNDTMQCQCITD-GFCCVEGCSA-N is sourced from PubChem (CID 148966177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 148966177 — identifiers, structure, computed properties (public domain)

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