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

C12H15ClN2O2 — CID 115060020

IUPAC5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCC1CN(Cc2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-2-9(6-10)7-15-8-11(4-5-14)17-12(15)16/h1-3,6,11H,4-5,7-8,14H2
InChIKeyPAWRTQKBLHQLEA-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.01
Rot. Bonds4

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

5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060020) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060020
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCC1CN(Cc2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-2-9(6-10)7-15-8-11(4-5-14)17-12(15)16/h1-3,6,11H,4-5,7-8,14H2
InChIKeyPAWRTQKBLHQLEA-UHFFFAOYSA-N
XLogP2.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064830
5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074
5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060075
2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235465
5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 59580293
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060343
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064858
5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 19911452

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one (CID 115060020) is 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one is NCCC1CN(Cc2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is PAWRTQKBLHQLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-3-1-2-9(6-10)7-15-8-11(4-5-14)17-12(15)16/h1-3,6,11H,4-5,7-8,14H2.
What are the key properties of 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 254.72 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).