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

C10H16BrNO3 — CID 11821925

IUPAC(4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(Br)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C10H16BrNO3/c1-4-7(11)9(13)12-8(6(2)3)5-15-10(12)14/h6-8H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyYUKDWUKDTUSMFR-BRFYHDHCSA-N
MW278.15 g/mol
LogP2.16
Rot. Bonds3

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

(4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11821925) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11821925
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC Name(4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(Br)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C10H16BrNO3/c1-4-7(11)9(13)12-8(6(2)3)5-15-10(12)14/h6-8H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyYUKDWUKDTUSMFR-BRFYHDHCSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11821925) is (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CCC(Br)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YUKDWUKDTUSMFR-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-4-7(11)9(13)12-8(6(2)3)5-15-10(12)14/h6-8H,4-5H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-bromobutanoyl)-4-propan-2-yl-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-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11821925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).