5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one

C16H25N3O2 — CID 23383621

IUPAC5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCCNCCN(C)CC1CN(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C16H25N3O2/c1-4-17-9-10-18(3)11-15-12-19(16(20)21-15)14-7-5-13(2)6-8-14/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyYTFMRRFQRMMWCT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.86
Rot. Bonds7

About 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one

5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 23383621) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID23383621
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCCNCCN(C)CC1CN(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C16H25N3O2/c1-4-17-9-10-18(3)11-15-12-19(16(20)21-15)14-7-5-13(2)6-8-14/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyYTFMRRFQRMMWCT-UHFFFAOYSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one (CID 23383621) is 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one is CCNCCN(C)CC1CN(c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is YTFMRRFQRMMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-17-9-10-18(3)11-15-12-19(16(20)21-15)14-7-5-13(2)6-8-14/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23383621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).