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

C8H15NO2 — CID 3612687

IUPAC5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1NC(=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)
InChIKeyQICFUFOXXNIZFF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds1

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

5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 3612687) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID3612687
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1NC(=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)
InChIKeyQICFUFOXXNIZFF-UHFFFAOYSA-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

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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
(S)-4-Isopropyl-5,5-dimethyl-2-oxazolidinone
CID 11105613
(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
4,5,5-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 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 3612687) is 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1NC(=O)OC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QICFUFOXXNIZFF-UHFFFAOYSA-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).
What are the key properties of 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
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 5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3612687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).