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

C8H12BrNO3 — CID 10014983

IUPAC(4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CBr
InChIInChI=1S/C8H12BrNO3/c1-5(2)6-4-13-8(12)10(6)7(11)3-9/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyOBCDZJOBILYTMH-ZCFIWIBFSA-N
MW250.09 g/mol
LogP1.38
Rot. Bonds2

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

(4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10014983) has the molecular formula C8H12BrNO3 and a molecular weight of 250.09 g/mol. Its IUPAC name is (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10014983
Molecular FormulaC8H12BrNO3
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name(4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CBr
InChIInChI=1S/C8H12BrNO3/c1-5(2)6-4-13-8(12)10(6)7(11)3-9/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyOBCDZJOBILYTMH-ZCFIWIBFSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.38
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

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-Bromopropionyl)-4-isopropyloxazolidin-2-one
CID 10923394
N-acetyl-(4s)-isopropyl 2-oxazolidinone
CID 11126719
(S)-4-Isopropyl-3-propioloyloxazolidin-2-one
CID 71768219
(4S)-3-(2-fluoropropanoyl)-4-isopropyloxazolidin-2-one
CID 77106963
3-(2-Fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123440883
(4R)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134277942
3-Acetyl-4-isopropyloxazolidin-2-one
CID 5323935
(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-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10014983) is (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)CBr.
What is the InChIKey of (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OBCDZJOBILYTMH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12BrNO3/c1-5(2)6-4-13-8(12)10(6)7(11)3-9/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 250.09 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10014983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).