(4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

C8H15NO2 — CID 11105613

IUPAC(4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)OC1(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)6-8(3,4)11-7(10)9-6/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1
InChIKeyQICFUFOXXNIZFF-LURJTMIESA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds1

About (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11105613) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11105613
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)OC1(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)6-8(3,4)11-7(10)9-6/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1
InChIKeyQICFUFOXXNIZFF-LURJTMIESA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-(Propan-2-yl)-1,3-oxazolidin-2-one
CID 641505
(4S)-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 7157133
(4S)-4-(2-Methylpropyl)-1,3-oxazolidin-2-one
CID 8063317
(S)-3-(Boc-amino)-2,4-dimethyl-2-pentanol
CID 10105305
(R)-(+)-4-Isopropyl-5,5-dimethyl-2-oxazolidinone
CID 10583042
4-(2-Methylpropyl)-1,3-oxazolidin-2-one
CID 13739951
2-Oxazolidinone, 4-(1-methylethyl)-
CID 519353
4-Isopropyl-5,5-dimethyl-oxazolidin-2-one
CID 3612687
4,5,5-Trimethyl-1,3-oxazolidin-2-one
CID 21604378
(4S)-3,5,5-trimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58967527
(R)-4-Isobutyloxazolidin-2-one
CID 2734862
(4S,5R)-4,5-Diisopropyloxazolidin-2-one
CID 10749701

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11105613) is (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1NC(=O)OC1(C)C.
What is the InChIKey of (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QICFUFOXXNIZFF-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)6-8(3,4)11-7(10)9-6/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11105613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).