5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one

C12H16N2O2 — CID 82023087

IUPAC5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(CN2CC(CN)OC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-9-3-2-4-10(5-9)7-14-8-11(6-13)16-12(14)15/h2-5,11H,6-8,13H2,1H3
InChIKeyMAMQQKZWBJUVOM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.27
Rot. Bonds3

About 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 82023087) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID82023087
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(CN2CC(CN)OC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-9-3-2-4-10(5-9)7-14-8-11(6-13)16-12(14)15/h2-5,11H,6-8,13H2,1H3
InChIKeyMAMQQKZWBJUVOM-UHFFFAOYSA-N
XLogP1.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 59580293
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 112594346
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074
3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064830
3-benzyl-5-[1-(3-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222628
5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 59742701
5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115944267
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one (CID 82023087) is 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one is Cc1cccc(CN2CC(CN)OC2=O)c1.
What is the InChIKey of 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is MAMQQKZWBJUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-3-2-4-10(5-9)7-14-8-11(6-13)16-12(14)15/h2-5,11H,6-8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 82023087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).