3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one

C15H23N3O2 — CID 107445145

IUPAC3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)NCCNc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-8-7-16-12-5-4-6-13(11-12)18-9-10-20-14(18)19/h4-6,11,16-17H,7-10H2,1-3H3
InChIKeyHMLSYUDBCAMYQW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.44
Rot. Bonds5

About 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one

3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 107445145) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID107445145
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)NCCNc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-8-7-16-12-5-4-6-13(11-12)18-9-10-20-14(18)19/h4-6,11,16-17H,7-10H2,1-3H3
InChIKeyHMLSYUDBCAMYQW-UHFFFAOYSA-N
XLogP2.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one (CID 107445145) is 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one is CC(C)(C)NCCNc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HMLSYUDBCAMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)17-8-7-16-12-5-4-6-13(11-12)18-9-10-20-14(18)19/h4-6,11,16-17H,7-10H2,1-3H3.
What are the key properties of 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 107445145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).