(4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one

C9H17NO2 — CID 91701291

IUPAC(4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC[C@H]1NC(=O)O[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-6(2)4-5-8-7(3)12-9(11)10-8/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyKDTQWSXUZNMYJH-HTQZYQBOSA-N
MW171.24 g/mol
LogP1.92
Rot. Bonds3

About (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one

(4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one (PubChem CID 91701291) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one
PubChem CID91701291
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC[C@H]1NC(=O)O[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-6(2)4-5-8-7(3)12-9(11)10-8/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyKDTQWSXUZNMYJH-HTQZYQBOSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
CID 90683234
(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11503830
trans-4,5-Di-n-octyl-2-oxazolidone
CID 57109357
(4S,5R)-4,5-Diisopropyloxazolidin-2-one
CID 10749701
tert-butyl N-[(1S)-3-methyl-1-[(2S)-oxiran-2-yl]butyl]carbamate
CID 10911355
tert-butyl N-[(1S)-3-methyl-1-[(2R)-oxiran-2-yl]butyl]carbamate
CID 11075197
(4S,5R)-4-Methyl-5-(n-pentadecyl)-1,3-oxazolidinone
CID 57234797
(4S,5R)-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 21585355
(4S,5S)-4-(2-methylpropyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 21585356
(4R,5S)-4-Isopropyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxazolidin-2-one
CID 60145928
(4S,5R)-(-)-4-i-propyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone
CID 72986827
(4S,5R)-5-[(2S)-2-hydroxy-3-methylbutyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10943874

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one (CID 91701291) is (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one is CC(C)CC[C@H]1NC(=O)O[C@@H]1C.
What is the InChIKey of (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one?
The InChIKey is KDTQWSXUZNMYJH-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)4-5-8-7(3)12-9(11)10-8/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one?
(4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-methyl-4-(3-methylbutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 91701291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).