5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one

C10H19NO2 — CID 130517363

IUPAC5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C(C(C)C)C1CNC(=O)O1
InChIInChI=1S/C10H19NO2/c1-6(2)9(7(3)4)8-5-11-10(12)13-8/h6-9H,5H2,1-4H3,(H,11,12)
InChIKeyITDKERSNEBCFBB-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.02
Rot. Bonds3

About 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one

5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one (PubChem CID 130517363) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one
PubChem CID130517363
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C(C(C)C)C1CNC(=O)O1
InChIInChI=1S/C10H19NO2/c1-6(2)9(7(3)4)8-5-11-10(12)13-8/h6-9H,5H2,1-4H3,(H,11,12)
InChIKeyITDKERSNEBCFBB-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-trityloxyethyl)-1,3-oxazolidin-2-one
CID 69241771
2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
CID 158495868
5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 154193468
(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 10536862
5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane
CID 158731739
(5S)-5-amino-1,3-oxazolidin-2-one
CID 141300678
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
5-(2-cyclopropylpropan-2-yl)-1,3-oxazolidin-2-one
CID 56992918
(5R)-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 94919826
(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 97000604
trimethyl-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 73349592
5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one
CID 66233469

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one (CID 130517363) is 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one is CC(C)C(C(C)C)C1CNC(=O)O1.
What is the InChIKey of 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is ITDKERSNEBCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)9(7(3)4)8-5-11-10(12)13-8/h6-9H,5H2,1-4H3,(H,11,12).
What are the key properties of 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one?
5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130517363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).