4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one

C13H18N2O2 — CID 115064459

IUPAC4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccccc1N1C(=O)OCC1(C)CCN
InChIInChI=1S/C13H18N2O2/c1-10-5-3-4-6-11(10)15-12(16)17-9-13(15,2)7-8-14/h3-6H,7-9,14H2,1-2H3
InChIKeyUAZHMQULTAQBAG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.06
Rot. Bonds3

About 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one

4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 115064459) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID115064459
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccccc1N1C(=O)OCC1(C)CCN
InChIInChI=1S/C13H18N2O2/c1-10-5-3-4-6-11(10)15-12(16)17-9-13(15,2)7-8-14/h3-6H,7-9,14H2,1-2H3
InChIKeyUAZHMQULTAQBAG-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115064623
4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063942
3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063939
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115065215
5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione
CID 56688466
4-methyl-3-(2-methylphenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064316
4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064492
4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023248
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115064700
5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79500616
4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 87429760
5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one (CID 115064459) is 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccccc1N1C(=O)OCC1(C)CCN.
What is the InChIKey of 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UAZHMQULTAQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-3-4-6-11(10)15-12(16)17-9-13(15,2)7-8-14/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).