SPLTZMWREVFSKY-AWEZNQCLSA-N

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

C₁₅H₁₆F₃N₃O₃ — CID 154664194

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

IUPAC2-[4-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one

SMILESC[C@]1(O)CCN(c2ccc(C3=NNC(=O)CO3)cc2C(F)(F)F)C1

InChIInChI=1S/C15H16F3N3O3/c1-14(23)4-5-21(8-14)11-3-2-9(6-10(11)15(16,17)18)13-20-19-12(22)7-24-13/h2-3,6,23H,4-5,7-8H2,1H3,(H,19,22)/t14-/m0/s1

InChIKeySPLTZMWREVFSKY-AWEZNQCLSA-N

MW343.31 g/mol

LogP1.47

Rot. Bonds2

About SPLTZMWREVFSKY-AWEZNQCLSA-N

SPLTZMWREVFSKY-AWEZNQCLSA-N (PubChem CID 154664194) has the molecular formula C₁₅H₁₆F₃N₃O₃ and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-[4-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name	SPLTZMWREVFSKY-AWEZNQCLSA-N
PubChem CID	154664194
Molecular Formula	C₁₅H₁₆F₃N₃O₃
Molecular Weight	343.31 g/mol
Exact Mass	343.11
IUPAC Name	2-[4-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one
SMILES	C[C@]1(O)CCN(c2ccc(C3=NNC(=O)CO3)cc2C(F)(F)F)C1
InChI	InChI=1S/C15H16F3N3O3/c1-14(23)4-5-21(8-14)11-3-2-9(6-10(11)15(16,17)18)13-20-19-12(22)7-24-13/h2-3,6,23H,4-5,7-8H2,1H3,(H,19,22)/t14-/m0/s1
InChIKey	SPLTZMWREVFSKY-AWEZNQCLSA-N
XLogP	1.47
TPSA	74.16 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.31
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of SPLTZMWREVFSKY-AWEZNQCLSA-N?

The IUPAC name of SPLTZMWREVFSKY-AWEZNQCLSA-N (CID 154664194) is 2-[4-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one.

What is the SMILES notation for SPLTZMWREVFSKY-AWEZNQCLSA-N?

The canonical SMILES for SPLTZMWREVFSKY-AWEZNQCLSA-N is C[C@]1(O)CCN(c2ccc(C3=NNC(=O)CO3)cc2C(F)(F)F)C1.

What is the InChIKey of SPLTZMWREVFSKY-AWEZNQCLSA-N?

The InChIKey is SPLTZMWREVFSKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-14(23)4-5-21(8-14)11-3-2-9(6-10(11)15(16,17)18)13-20-19-12(22)7-24-13/h2-3,6,23H,4-5,7-8H2,1H3,(H,19,22)/t14-/m0/s1.

What are the key properties of SPLTZMWREVFSKY-AWEZNQCLSA-N?

SPLTZMWREVFSKY-AWEZNQCLSA-N has a molecular weight of 343.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for SPLTZMWREVFSKY-AWEZNQCLSA-N is sourced from PubChem (CID 154664194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154664194 — identifiers, structure, computed properties (public domain)

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