3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one

C11H13ClN2O2 — CID 82084550

IUPAC3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
SMILESNCCN1CC(c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-8(6-9)10-7-14(5-4-13)11(15)16-10/h1-3,6,10H,4-5,7,13H2
InChIKeyMTCYQSQBCFCHEC-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.79
Rot. Bonds3

About 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one

3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 82084550) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
PubChem CID82084550
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
SMILESNCCN1CC(c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-8(6-9)10-7-14(5-4-13)11(15)16-10/h1-3,6,10H,4-5,7,13H2
InChIKeyMTCYQSQBCFCHEC-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 82077424
3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 82079805
5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
CID 82083954
3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 82084411
4-chloro-N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707134
5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 83903279
3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82084036
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
2-[5-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 83850912
(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one
CID 67823889
5-(1,3-benzodioxol-5-yl)-3-(2-chloroethyl)-1,3-oxazolidin-2-one
CID 82092989

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one (CID 82084550) is 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one is NCCN1CC(c2cccc(Cl)c2)OC1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is MTCYQSQBCFCHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-3-1-2-8(6-9)10-7-14(5-4-13)11(15)16-10/h1-3,6,10H,4-5,7,13H2.
What are the key properties of 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one?
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82084550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).