(3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride

C9H11ClF3N3O3 — CID 175940668

IUPAC(3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)F.c1ncc([C@@H]2CCON2)cn1
InChIInChI=1S/C7H9N3O.C2HF3O2.ClH/c1-2-11-10-7(1)6-3-8-5-9-4-6;3-2(4,5)1(6)7;/h3-5,7,10H,1-2H2;(H,6,7);1H/t7-;;/m0../s1
InChIKeyUZOUCJHQISUTGV-KLXURFKVSA-N
MW301.65 g/mol
LogP1.50
Rot. Bonds1

About (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride

(3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 175940668) has the molecular formula C9H11ClF3N3O3 and a molecular weight of 301.65 g/mol. Its IUPAC name is (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID175940668
Molecular FormulaC9H11ClF3N3O3
Molecular Weight301.65 g/mol
Exact Mass301.04
IUPAC Name(3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)F.c1ncc([C@@H]2CCON2)cn1
InChIInChI=1S/C7H9N3O.C2HF3O2.ClH/c1-2-11-10-7(1)6-3-8-5-9-4-6;3-2(4,5)1(6)7;/h3-5,7,10H,1-2H2;(H,6,7);1H/t7-;;/m0../s1
InChIKeyUZOUCJHQISUTGV-KLXURFKVSA-N
XLogP1.50
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride (CID 175940668) is (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride is Cl.O=C(O)C(F)(F)F.c1ncc([C@@H]2CCON2)cn1.
What is the InChIKey of (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is UZOUCJHQISUTGV-KLXURFKVSA-N. The full InChI is InChI=1S/C7H9N3O.C2HF3O2.ClH/c1-2-11-10-7(1)6-3-8-5-9-4-6;3-2(4,5)1(6)7;/h3-5,7,10H,1-2H2;(H,6,7);1H/t7-;;/m0../s1.
What are the key properties of (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride?
(3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 301.65 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyrimidin-5-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 175940668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).