1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol

C13H18ClNO2 — CID 21484973

IUPAC1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCOC1Cc1ccccc1
InChIInChI=1S/C13H18ClNO2/c14-9-12(16)10-15-6-7-17-13(15)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2
InChIKeyHOJCHULMHILPFI-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.49
Rot. Bonds5

About 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol

1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol (PubChem CID 21484973) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol
PubChem CID21484973
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCOC1Cc1ccccc1
InChIInChI=1S/C13H18ClNO2/c14-9-12(16)10-15-6-7-17-13(15)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2
InChIKeyHOJCHULMHILPFI-UHFFFAOYSA-N
XLogP1.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.49
H-Bond Donors ≤ 51
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 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol?
The IUPAC name of 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol (CID 21484973) is 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol?
The canonical SMILES for 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol is OC(CCl)CN1CCOC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol?
The InChIKey is HOJCHULMHILPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-9-12(16)10-15-6-7-17-13(15)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2.
What are the key properties of 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol?
1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol has a molecular weight of 255.75 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-1,3-oxazolidin-3-yl)-3-chloropropan-2-ol is sourced from PubChem (CID 21484973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).