piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid

C15H19F3N4O4 — CID 175877454

IUPACpiperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCNCC1)N1OCC[C@H]1c1cncnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O2.C2HF3O2/c18-13(10-1-4-14-5-2-10)17-12(3-6-19-17)11-7-15-9-16-8-11;3-2(4,5)1(6)7/h7-10,12,14H,1-6H2;(H,6,7)/t12-;/m0./s1
InChIKeyNIYPDQNDGQALNL-YDALLXLXSA-N
MW376.34 g/mol
LogP1.31
Rot. Bonds2

About piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid

piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 175877454) has the molecular formula C15H19F3N4O4 and a molecular weight of 376.34 g/mol. Its IUPAC name is piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID175877454
Molecular FormulaC15H19F3N4O4
Molecular Weight376.34 g/mol
Exact Mass376.14
IUPAC Namepiperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCNCC1)N1OCC[C@H]1c1cncnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O2.C2HF3O2/c18-13(10-1-4-14-5-2-10)17-12(3-6-19-17)11-7-15-9-16-8-11;3-2(4,5)1(6)7/h7-10,12,14H,1-6H2;(H,6,7)/t12-;/m0./s1
InChIKeyNIYPDQNDGQALNL-YDALLXLXSA-N
XLogP1.31
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 175877454) is piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1CCNCC1)N1OCC[C@H]1c1cncnc1.O=C(O)C(F)(F)F.
What is the InChIKey of piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is NIYPDQNDGQALNL-YDALLXLXSA-N. The full InChI is InChI=1S/C13H18N4O2.C2HF3O2/c18-13(10-1-4-14-5-2-10)17-12(3-6-19-17)11-7-15-9-16-8-11;3-2(4,5)1(6)7/h7-10,12,14H,1-6H2;(H,6,7)/t12-;/m0./s1.
What are the key properties of piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid?
piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 376.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidin-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175877454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).