3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea

C15H21N3O3 — CID 110328047

IUPAC3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea
SMILESCc1ccc(N2CC(CNC(=O)N(C)C)OC2=O)cc1C
InChIInChI=1S/C15H21N3O3/c1-10-5-6-12(7-11(10)2)18-9-13(21-15(18)20)8-16-14(19)17(3)4/h5-7,13H,8-9H2,1-4H3,(H,16,19)
InChIKeyRHUQFFBHFWJMMB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.90
Rot. Bonds3

About 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea

3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea (PubChem CID 110328047) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea
PubChem CID110328047
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea
SMILESCc1ccc(N2CC(CNC(=O)N(C)C)OC2=O)cc1C
InChIInChI=1S/C15H21N3O3/c1-10-5-6-12(7-11(10)2)18-9-13(21-15(18)20)8-16-14(19)17(3)4/h5-7,13H,8-9H2,1-4H3,(H,16,19)
InChIKeyRHUQFFBHFWJMMB-UHFFFAOYSA-N
XLogP1.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-ethylbutanamide
CID 110328010
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methoxybenzamide
CID 110328021
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110328025
1-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 51446275
3,4-dimethyl-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327775
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
2-methyl-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920545

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea (CID 110328047) is 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea is Cc1ccc(N2CC(CNC(=O)N(C)C)OC2=O)cc1C.
What is the InChIKey of 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea?
The InChIKey is RHUQFFBHFWJMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-5-6-12(7-11(10)2)18-9-13(21-15(18)20)8-16-14(19)17(3)4/h5-7,13H,8-9H2,1-4H3,(H,16,19).
What are the key properties of 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea?
3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea has a molecular weight of 291.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 110328047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).