(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one

C7H12ClNO2 — CID 101398831

IUPAC(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one
SMILESCCCC(Cl)[C@H]1COC(=O)N1
InChIInChI=1S/C7H12ClNO2/c1-2-3-5(8)6-4-11-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyUVCXGLRQXDHBMK-PRJDIBJQSA-N
MW177.63 g/mol
LogP1.50
Rot. Bonds3

About (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one

(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one (PubChem CID 101398831) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one
PubChem CID101398831
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one
SMILESCCCC(Cl)[C@H]1COC(=O)N1
InChIInChI=1S/C7H12ClNO2/c1-2-3-5(8)6-4-11-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyUVCXGLRQXDHBMK-PRJDIBJQSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
CID 130978098
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
(4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one
CID 130436448
ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
CID 10912347
4-ethyl-5-methyl-1,3-oxazinan-2-one
CID 89458123
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
4-prop-1-ynyl-1,3-oxazolidin-2-one
CID 130016019
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one (CID 101398831) is (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one is CCCC(Cl)[C@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one?
The InChIKey is UVCXGLRQXDHBMK-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-2-3-5(8)6-4-11-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)/t5?,6-/m1/s1.
What are the key properties of (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one?
(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one has a molecular weight of 177.63 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 101398831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).