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

C16H22N2O2 — CID 64500021

IUPAC3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
SMILESCCC1CCC(Nc2cccc(N3CCOC3=O)c2)C1
InChIInChI=1S/C16H22N2O2/c1-2-12-6-7-14(10-12)17-13-4-3-5-15(11-13)18-8-9-20-16(18)19/h3-5,11-12,14,17H,2,6-10H2,1H3
InChIKeyMGHWMPCQICKPQA-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds4

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

3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 64500021) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
PubChem CID64500021
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
SMILESCCC1CCC(Nc2cccc(N3CCOC3=O)c2)C1
InChIInChI=1S/C16H22N2O2/c1-2-12-6-7-14(10-12)17-13-4-3-5-15(11-13)18-8-9-20-16(18)19/h3-5,11-12,14,17H,2,6-10H2,1H3
InChIKeyMGHWMPCQICKPQA-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one (CID 64500021) is 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one is CCC1CCC(Nc2cccc(N3CCOC3=O)c2)C1.
What is the InChIKey of 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is MGHWMPCQICKPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-12-6-7-14(10-12)17-13-4-3-5-15(11-13)18-8-9-20-16(18)19/h3-5,11-12,14,17H,2,6-10H2,1H3.
What are the key properties of 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 64500021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).