(4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one

C12H19N3O2 — CID 59135059

IUPAC(4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccnn2C)OC(=O)N1C(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-8-10(9-6-7-13-14(9)5)17-11(16)15(8)12(2,3)4/h6-8,10H,1-5H3/t8-,10-/m0/s1
InChIKeyNPWBSVIVGSOSNT-WPRPVWTQSA-N
MW237.30 g/mol
LogP2.10
Rot. Bonds1

About (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one

(4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one (PubChem CID 59135059) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one
PubChem CID59135059
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccnn2C)OC(=O)N1C(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-8-10(9-6-7-13-14(9)5)17-11(16)15(8)12(2,3)4/h6-8,10H,1-5H3/t8-,10-/m0/s1
InChIKeyNPWBSVIVGSOSNT-WPRPVWTQSA-N
XLogP2.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one (CID 59135059) is (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccnn2C)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is NPWBSVIVGSOSNT-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-10(9-6-7-13-14(9)5)17-11(16)15(8)12(2,3)4/h6-8,10H,1-5H3/t8-,10-/m0/s1.
What are the key properties of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
(4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-tert-butyl-4-methyl-5-(2-methylpyrazol-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).