3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one

C15H20N2O3 — CID 63740911

IUPAC3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCC2CCCOC2)c1
InChIInChI=1S/C15H20N2O3/c18-15-17(6-8-20-15)14-5-1-4-13(9-14)16-10-12-3-2-7-19-11-12/h1,4-5,9,12,16H,2-3,6-8,10-11H2
InChIKeyFGXDLUOYMKMLAZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.48
Rot. Bonds4

About 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one

3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one (PubChem CID 63740911) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
PubChem CID63740911
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCC2CCCOC2)c1
InChIInChI=1S/C15H20N2O3/c18-15-17(6-8-20-15)14-5-1-4-13(9-14)16-10-12-3-2-7-19-11-12/h1,4-5,9,12,16H,2-3,6-8,10-11H2
InChIKeyFGXDLUOYMKMLAZ-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 79708178
3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 107131674
3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 115918921
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727255
3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 64500021
3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727311
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate
CID 102562050
3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 115938027
3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 65080065
3-[3-(pyridin-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43727252

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one (CID 63740911) is 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc(NCC2CCCOC2)c1.
What is the InChIKey of 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FGXDLUOYMKMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15-17(6-8-20-15)14-5-1-4-13(9-14)16-10-12-3-2-7-19-11-12/h1,4-5,9,12,16H,2-3,6-8,10-11H2.
What are the key properties of 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 63740911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).