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

C17H24N2O2 — CID 43787434

IUPAC3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1cccc(N2CCOC2=O)c1)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13(14-6-3-2-4-7-14)18-15-8-5-9-16(12-15)19-10-11-21-17(19)20/h5,8-9,12-14,18H,2-4,6-7,10-11H2,1H3
InChIKeyVUPHFISOKUXLSQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.02
Rot. Bonds4

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

3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one (PubChem CID 43787434) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
PubChem CID43787434
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1cccc(N2CCOC2=O)c1)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13(14-6-3-2-4-7-14)18-15-8-5-9-16(12-15)19-10-11-21-17(19)20/h5,8-9,12-14,18H,2-4,6-7,10-11H2,1H3
InChIKeyVUPHFISOKUXLSQ-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 115918921
tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
CID 124846666
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 65080065
3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one
CID 94640750
3-[3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 71939095
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 62090156
3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 80705731
3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 43787438
3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 64500021
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one (CID 43787434) is 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one is CC(Nc1cccc(N2CCOC2=O)c1)C1CCCCC1.
What is the InChIKey of 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VUPHFISOKUXLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(14-6-3-2-4-7-14)18-15-8-5-9-16(12-15)19-10-11-21-17(19)20/h5,8-9,12-14,18H,2-4,6-7,10-11H2,1H3.
What are the key properties of 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one?
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43787434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).