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

C10H17NO3 — CID 134968267

IUPAC(4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)8-10(4,5)14-9(13)11(8)7(3)12/h6,8H,1-5H3/t8-/m0/s1
InChIKeyGRQUBEKGWGFOML-QMMMGPOBSA-N
MW199.25 g/mol
LogP1.79
Rot. Bonds1

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

(4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134968267) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134968267
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)8-10(4,5)14-9(13)11(8)7(3)12/h6,8H,1-5H3/t8-/m0/s1
InChIKeyGRQUBEKGWGFOML-QMMMGPOBSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
(4S)-3-(2,2-Dibromo-2-fluoroacetyl)-5,5-dimethyl-4-(1-methylethyl)-2-oxazolidinone
CID 71469717
N-acetyl-(4s)-isopropyl 2-oxazolidinone
CID 11126719
(4S)-5,5-dimethyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 16084099
(4S)-3,5,5-trimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58967527
3-Acetyl-4-isopropyloxazolidin-2-one
CID 5323935
(S)-3-(1'-Oxopropyl)-4,5,5-trimethyloxazolidin-2-one
CID 15369461
(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854120
(4R)-3-acetyl-4-propan-2-yl-2-oxazolidinone
CID 15939087
(4R)-3-(2-methylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14433102

Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134968267) is (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GRQUBEKGWGFOML-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)8-10(4,5)14-9(13)11(8)7(3)12/h6,8H,1-5H3/t8-/m0/s1.
What are the key properties of (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134968267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).