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

C11H19NO3 — CID 15854120

IUPAC(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C11H19NO3/c1-6-8(13)12-9(7(2)3)11(4,5)15-10(12)14/h7,9H,6H2,1-5H3/t9-/m0/s1
InChIKeyGNLZVBMGQMWEPA-VIFPVBQESA-N
MW213.28 g/mol
LogP2.18
Rot. Bonds2

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

(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 15854120) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID15854120
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C11H19NO3/c1-6-8(13)12-9(7(2)3)11(4,5)15-10(12)14/h7,9H,6H2,1-5H3/t9-/m0/s1
InChIKeyGNLZVBMGQMWEPA-VIFPVBQESA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.18
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
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
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
(4S)-3-[(2S)-3,3-difluoro-2-methyl-3-trimethylsilylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 168144911
3-Acetyl-4-isopropyloxazolidin-2-one
CID 5323935
3-(3-Methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10262635

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 15854120) is (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.
What is the InChIKey of (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GNLZVBMGQMWEPA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-6-8(13)12-9(7(2)3)11(4,5)15-10(12)14/h7,9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15854120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).