3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one

C17H22N2O2 — CID 167749586

IUPAC3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(CNC2CCC[C@H]3C[C@@H]23)cc1
InChIInChI=1S/C17H22N2O2/c20-17-19(8-9-21-17)14-6-4-12(5-7-14)11-18-16-3-1-2-13-10-15(13)16/h4-7,13,15-16,18H,1-3,8-11H2/t13-,15+,16?/m0/s1
InChIKeyNWFYASXNVVTBHM-GVJPCGBOSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds4

About 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 167749586) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID167749586
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(CNC2CCC[C@H]3C[C@@H]23)cc1
InChIInChI=1S/C17H22N2O2/c20-17-19(8-9-21-17)14-6-4-12(5-7-14)11-18-16-3-1-2-13-10-15(13)16/h4-7,13,15-16,18H,1-3,8-11H2/t13-,15+,16?/m0/s1
InChIKeyNWFYASXNVVTBHM-GVJPCGBOSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
CID 106913294
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
1-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120914835
3-(4-cyclohexylphenyl)-1,3-oxazolidin-2-one
CID 170782737
N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine
CID 130525428
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
CID 104549227
N-[(4-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372318
3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide
CID 126769031
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
CID 133475744
4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
CID 114331396
3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 171489467

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one (CID 167749586) is 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(CNC2CCC[C@H]3C[C@@H]23)cc1.
What is the InChIKey of 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NWFYASXNVVTBHM-GVJPCGBOSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17-19(8-9-21-17)14-6-4-12(5-7-14)11-18-16-3-1-2-13-10-15(13)16/h4-7,13,15-16,18H,1-3,8-11H2/t13-,15+,16?/m0/s1.
What are the key properties of 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167749586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).