(4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one

C10H12F3N3O2 — CID 90179145

IUPAC(4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)nn2C)OC(=O)N1C
InChIInChI=1S/C10H12F3N3O2/c1-5-8(18-9(17)15(5)2)6-4-7(10(11,12)13)14-16(6)3/h4-5,8H,1-3H3/t5-,8-/m0/s1
InChIKeyUUUAJNOTGDMMMJ-XNCJUZBTSA-N
MW263.22 g/mol
LogP1.95
Rot. Bonds1

About (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one

(4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one (PubChem CID 90179145) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
PubChem CID90179145
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name(4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)nn2C)OC(=O)N1C
InChIInChI=1S/C10H12F3N3O2/c1-5-8(18-9(17)15(5)2)6-4-7(10(11,12)13)14-16(6)3/h4-5,8H,1-3H3/t5-,8-/m0/s1
InChIKeyUUUAJNOTGDMMMJ-XNCJUZBTSA-N
XLogP1.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one (CID 90179145) is (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2cc(C(F)(F)F)nn2C)OC(=O)N1C.
What is the InChIKey of (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is UUUAJNOTGDMMMJ-XNCJUZBTSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-8(18-9(17)15(5)2)6-4-7(10(11,12)13)14-16(6)3/h4-5,8H,1-3H3/t5-,8-/m0/s1.
What are the key properties of (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
(4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 263.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3,4-dimethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90179145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).