(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C10H16BrNO3 — CID 139669339

IUPAC(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1COC(=O)N1C(=O)C(C)Br
InChIInChI=1S/C10H16BrNO3/c1-6(2)4-8-5-15-10(14)12(8)9(13)7(3)11/h6-8H,4-5H2,1-3H3/t7?,8-/m0/s1
InChIKeyZMXPKQZBVOUMQE-MQWKRIRWSA-N
MW278.15 g/mol
LogP2.16
Rot. Bonds3

About (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one

(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 139669339) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID139669339
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC Name(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1COC(=O)N1C(=O)C(C)Br
InChIInChI=1S/C10H16BrNO3/c1-6(2)4-8-5-15-10(14)12(8)9(13)7(3)11/h6-8H,4-5H2,1-3H3/t7?,8-/m0/s1
InChIKeyZMXPKQZBVOUMQE-MQWKRIRWSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
(4S)-3-(2-bromopropanoyl)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 139669360
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 59045502
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(2-methylpropyl)butane-1,3-dione
CID 22894172
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 139669339) is (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)C[C@H]1COC(=O)N1C(=O)C(C)Br.
What is the InChIKey of (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is ZMXPKQZBVOUMQE-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-6(2)4-8-5-15-10(14)12(8)9(13)7(3)11/h6-8H,4-5H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 278.15 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139669339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).