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

C13H18N2O3 — CID 115064445

IUPAC4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OCC2(C)CN)cc1
InChIInChI=1S/C13H18N2O3/c1-13(8-14)9-18-12(16)15(13)7-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3
InChIKeyBFOZRSLCYQLRQK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.36
Rot. Bonds4

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

4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064445) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID115064445
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OCC2(C)CN)cc1
InChIInChI=1S/C13H18N2O3/c1-13(8-14)9-18-12(16)15(13)7-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3
InChIKeyBFOZRSLCYQLRQK-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064554
4-(aminomethyl)-3-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064441
4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064483
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
CID 53474889
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
(1R,5S,6S)-7,7-dibromo-2-[(4-methoxyphenyl)methyl]-1,5-dimethyl-2-azabicyclo[4.1.0]heptan-3-one
CID 11732485
methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
CID 135011562
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 115064445) is 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OCC2(C)CN)cc1.
What is the InChIKey of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is BFOZRSLCYQLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(8-14)9-18-12(16)15(13)7-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).