5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one

C10H16BrNO2 — CID 82380037

IUPAC5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1C1CCCCC1
InChIInChI=1S/C10H16BrNO2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyBIMDAYKKEYIFRM-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.53
Rot. Bonds2

About 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one

5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one (PubChem CID 82380037) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one
PubChem CID82380037
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1C1CCCCC1
InChIInChI=1S/C10H16BrNO2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyBIMDAYKKEYIFRM-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one (CID 82380037) is 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one is O=C1OC(CBr)CN1C1CCCCC1.
What is the InChIKey of 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one?
The InChIKey is BIMDAYKKEYIFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one?
5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one has a molecular weight of 262.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 82380037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).