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

C16H22N2O2 — CID 80705731

IUPAC3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CCC(Nc2cccc(N3CCOC3=O)c2)C1
InChIInChI=1S/C16H22N2O2/c1-16(2)7-6-13(11-16)17-12-4-3-5-14(10-12)18-8-9-20-15(18)19/h3-5,10,13,17H,6-9,11H2,1-2H3
InChIKeyHUFBTHGUBIRWFH-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds3

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

3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 80705731) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
PubChem CID80705731
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CCC(Nc2cccc(N3CCOC3=O)c2)C1
InChIInChI=1S/C16H22N2O2/c1-16(2)7-6-13(11-16)17-12-4-3-5-14(10-12)18-8-9-20-15(18)19/h3-5,10,13,17H,6-9,11H2,1-2H3
InChIKeyHUFBTHGUBIRWFH-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 65080065
3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 64500021
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 115918921
3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 79708178
3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727255
tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate
CID 102562050
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 107131674

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one (CID 80705731) is 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one is CC1(C)CCC(Nc2cccc(N3CCOC3=O)c2)C1.
What is the InChIKey of 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HUFBTHGUBIRWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2)7-6-13(11-16)17-12-4-3-5-14(10-12)18-8-9-20-15(18)19/h3-5,10,13,17H,6-9,11H2,1-2H3.
What are the key properties of 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 80705731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).