1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea

C13H17N3O3 — CID 110747054

IUPAC1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea
SMILESCN1CC(CNC(=O)NCc2ccccc2)OC1=O
InChIInChI=1S/C13H17N3O3/c1-16-9-11(19-13(16)18)8-15-12(17)14-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,14,15,17)
InChIKeyHHOFBGCYYVLOIA-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.94
Rot. Bonds4

About 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea

1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea (PubChem CID 110747054) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea
PubChem CID110747054
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea
SMILESCN1CC(CNC(=O)NCc2ccccc2)OC1=O
InChIInChI=1S/C13H17N3O3/c1-16-9-11(19-13(16)18)8-15-12(17)14-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,14,15,17)
InChIKeyHHOFBGCYYVLOIA-UHFFFAOYSA-N
XLogP0.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea (CID 110747054) is 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea is CN1CC(CNC(=O)NCc2ccccc2)OC1=O.
What is the InChIKey of 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea?
The InChIKey is HHOFBGCYYVLOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-9-11(19-13(16)18)8-15-12(17)14-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,14,15,17).
What are the key properties of 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea?
1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea has a molecular weight of 263.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea is sourced from PubChem (CID 110747054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).