(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one

C8H15NO2 — CID 118216515

IUPAC(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@@H]1CN(C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-6(2)4-7-5-9(3)8(10)11-7/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyNBTAFTUFULHLFQ-SSDOTTSWSA-N
MW157.21 g/mol
LogP1.48
Rot. Bonds2

About (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one

(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 118216515) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID118216515
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@@H]1CN(C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-6(2)4-7-5-9(3)8(10)11-7/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyNBTAFTUFULHLFQ-SSDOTTSWSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
(5S)-3-methyl-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 59010162
(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67918701
(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
CID 154029551
but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one
CID 159211254
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile
CID 91620718
1-O-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 122482166
(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
CID 20616677
[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 59735300
5-ethyl-3-(tritiomethyl)-1,3-oxazolidin-2-one
CID 59986944
(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one
CID 158041557

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 118216515) is (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)C[C@@H]1CN(C)C(=O)O1.
What is the InChIKey of (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is NBTAFTUFULHLFQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)4-7-5-9(3)8(10)11-7/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 118216515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).