(5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one

C10H12F3N3O2 — CID 70931483

IUPAC(5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
SMILESCCN1C[C@H](c2cc(C(F)(F)F)nn2C)OC1=O
InChIInChI=1S/C10H12F3N3O2/c1-3-16-5-7(18-9(16)17)6-4-8(10(11,12)13)14-15(6)2/h4,7H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyFKHLSELRMQFYJQ-SSDOTTSWSA-N
MW263.22 g/mol
LogP1.95
Rot. Bonds2

About (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one

(5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one (PubChem CID 70931483) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
PubChem CID70931483
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name(5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
SMILESCCN1C[C@H](c2cc(C(F)(F)F)nn2C)OC1=O
InChIInChI=1S/C10H12F3N3O2/c1-3-16-5-7(18-9(16)17)6-4-8(10(11,12)13)14-15(6)2/h4,7H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyFKHLSELRMQFYJQ-SSDOTTSWSA-N
XLogP1.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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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Related Compounds

(4S,5S)-3-tert-butyl-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 59135085
(4R,5R)-3-tert-butyl-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 59135129
(4S,5S)-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 68075741
(4R,5R)-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 68075812
(5R)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
CID 68076207
(4S,5S)-3-ethyl-4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
CID 70899564
(4R,5R)-3-ethyl-4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one
CID 70899565
3-(1,1-Difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
CID 90162097
(4R,5R)-3,4-dimethyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 90179092
(4S,5S)-3,4-dimethyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-oxazolidin-2-one
CID 90179145
(4S,5S)-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 137547010
(4R,5R)-4-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 137547150

Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one (CID 70931483) is (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one is CCN1C[C@H](c2cc(C(F)(F)F)nn2C)OC1=O.
What is the InChIKey of (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is FKHLSELRMQFYJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-3-16-5-7(18-9(16)17)6-4-8(10(11,12)13)14-15(6)2/h4,7H,3,5H2,1-2H3/t7-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one?
(5R)-3-ethyl-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, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70931483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).