3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one

C15H22N2O2 — CID 46887116

IUPAC3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccccc2N)C(=O)O1
InChIInChI=1S/C15H22N2O2/c1-2-3-4-5-8-12-11-17(15(18)19-12)14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11,16H2,1H3
InChIKeyLPYJYSOJNKNFSF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.56
Rot. Bonds6

About 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one

3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one (PubChem CID 46887116) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
PubChem CID46887116
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccccc2N)C(=O)O1
InChIInChI=1S/C15H22N2O2/c1-2-3-4-5-8-12-11-17(15(18)19-12)14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11,16H2,1H3
InChIKeyLPYJYSOJNKNFSF-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one (CID 46887116) is 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one is CCCCCCC1CN(c2ccccc2N)C(=O)O1.
What is the InChIKey of 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one?
The InChIKey is LPYJYSOJNKNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-4-5-8-12-11-17(15(18)19-12)14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11,16H2,1H3.
What are the key properties of 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one?
3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).