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

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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).