5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one

C12H16N2O3 — CID 82291580

IUPAC5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(CN)CNC(=O)O2)cc1C
InChIInChI=1S/C12H16N2O3/c1-8-5-9(3-4-10(8)16-2)12(6-13)7-14-11(15)17-12/h3-5H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGYOSCAQTCVPYSY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.90
Rot. Bonds3

About 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 82291580) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID82291580
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(CN)CNC(=O)O2)cc1C
InChIInChI=1S/C12H16N2O3/c1-8-5-9(3-4-10(8)16-2)12(6-13)7-14-11(15)17-12/h3-5H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGYOSCAQTCVPYSY-UHFFFAOYSA-N
XLogP0.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one
CID 82304399
5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one
CID 82286284
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
2-[2-(4-methoxy-3-methylphenyl)-1,3-dioxan-2-yl]ethanamine
CID 82131625
5-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049149
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
5-ethyl-5-(4-methoxy-3-methylphenyl)imidazolidine-2,4-dione
CID 71683811
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
3-(3-aminopropyl)-5-ethyl-5-(4-methoxy-3-methylphenyl)imidazolidine-2,4-dione
CID 82147903
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one (CID 82291580) is 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one is COc1ccc(C2(CN)CNC(=O)O2)cc1C.
What is the InChIKey of 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is GYOSCAQTCVPYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-9(3-4-10(8)16-2)12(6-13)7-14-11(15)17-12/h3-5H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82291580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).