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

C11H21NO2 — CID 58632955

IUPAC(4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)N1C(C)OC(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)12-8(3)14-10(13)9(12)11(4,5)6/h7-9H,1-6H3/t8?,9-/m1/s1
InChIKeyVYAZZYOJVPNYAP-YGPZHTELSA-N
MW199.29 g/mol
LogP2.01
Rot. Bonds1

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

(4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one (PubChem CID 58632955) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one
PubChem CID58632955
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one
SMILESCC(C)N1C(C)OC(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)12-8(3)14-10(13)9(12)11(4,5)6/h7-9H,1-6H3/t8?,9-/m1/s1
InChIKeyVYAZZYOJVPNYAP-YGPZHTELSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one (CID 58632955) is (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one is CC(C)N1C(C)OC(=O)[C@@H]1C(C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one?
The InChIKey is VYAZZYOJVPNYAP-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)12-8(3)14-10(13)9(12)11(4,5)6/h7-9H,1-6H3/t8?,9-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one?
(4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one has a molecular weight of 199.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-methyl-3-propan-2-yl-1,3-oxazolidin-5-one is sourced from PubChem (CID 58632955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).