4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one

C11H13ClN2O2 — CID 115060232

IUPAC4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-8(2-4-9)6-14-10(5-13)7-16-11(14)15/h1-4,10H,5-7,13H2
InChIKeyAUVIWGNIPZPLBP-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.62
Rot. Bonds3

About 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one

4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060232) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060232
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1COC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-8(2-4-9)6-14-10(5-13)7-16-11(14)15/h1-4,10H,5-7,13H2
InChIKeyAUVIWGNIPZPLBP-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060253
4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060184
3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115060258
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 115102514
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
CID 53344302
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one (CID 115060232) is 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one is NCC1COC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is AUVIWGNIPZPLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-3-1-8(2-4-9)6-14-10(5-13)7-16-11(14)15/h1-4,10H,5-7,13H2.
What are the key properties of 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).