(1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone

C9H10F3N3O2 — CID 164642830

IUPAC(1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone
SMILESCn1ccc(C(=O)N2CCO[C@H]2C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c1-14-3-2-6(13-14)7(16)15-4-5-17-8(15)9(10,11)12/h2-3,8H,4-5H2,1H3/t8-/m0/s1
InChIKeyJESNUXQEVONVOT-QMMMGPOBSA-N
MW249.19 g/mol
LogP0.78
Rot. Bonds1

About (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone

(1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone (PubChem CID 164642830) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone
PubChem CID164642830
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name(1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone
SMILESCn1ccc(C(=O)N2CCO[C@H]2C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c1-14-3-2-6(13-14)7(16)15-4-5-17-8(15)9(10,11)12/h2-3,8H,4-5H2,1H3/t8-/m0/s1
InChIKeyJESNUXQEVONVOT-QMMMGPOBSA-N
XLogP0.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone (CID 164642830) is (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone is Cn1ccc(C(=O)N2CCO[C@H]2C(F)(F)F)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone?
The InChIKey is JESNUXQEVONVOT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-14-3-2-6(13-14)7(16)15-4-5-17-8(15)9(10,11)12/h2-3,8H,4-5H2,1H3/t8-/m0/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone?
(1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone has a molecular weight of 249.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(2S)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]methanone is sourced from PubChem (CID 164642830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).