1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea

C11H21N3O3 — CID 110746783

IUPAC1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCN1CCOC1=O
InChIInChI=1S/C11H21N3O3/c1-11(2,3)8-13-9(15)12-4-5-14-6-7-17-10(14)16/h4-8H2,1-3H3,(H2,12,13,15)
InChIKeySVAOMWWBJARURO-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.78
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea

1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea (PubChem CID 110746783) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
PubChem CID110746783
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCN1CCOC1=O
InChIInChI=1S/C11H21N3O3/c1-11(2,3)8-13-9(15)12-4-5-14-6-7-17-10(14)16/h4-8H2,1-3H3,(H2,12,13,15)
InChIKeySVAOMWWBJARURO-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
CID 110746780
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
CID 110747891
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]morpholine-4-carboxamide
CID 110872095
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
CID 151323535
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
3-(4-ethylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
CID 110707230
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
CID 139512327
4-tert-butyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719243
1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747884
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea
CID 31073667
2-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707207

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea (CID 110746783) is 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea is CC(C)(C)CNC(=O)NCCN1CCOC1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?
The InChIKey is SVAOMWWBJARURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)8-13-9(15)12-4-5-14-6-7-17-10(14)16/h4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea has a molecular weight of 243.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea is sourced from PubChem (CID 110746783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).