(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one

C8H15NO2 — CID 130754451

IUPAC(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@H]1OC(=O)N[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-4-5(2)7-6(3)9-8(10)11-7/h5-7H,4H2,1-3H3,(H,9,10)/t5-,6+,7+/m0/s1
InChIKeyNCGYUHWOSYCZNF-RRKCRQDMSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds2

About (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one

(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 130754451) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID130754451
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@H]1OC(=O)N[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-4-5(2)7-6(3)9-8(10)11-7/h5-7H,4H2,1-3H3,(H,9,10)/t5-,6+,7+/m0/s1
InChIKeyNCGYUHWOSYCZNF-RRKCRQDMSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-4-methyl-1,3-oxazolidin-2-one
CID 14742430
(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 135043486
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752
(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 11182889
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one
CID 23246426
5-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 89199038
(4R)-5-(chloromethyl)-4-methyl-1,3-oxazolidin-2-one
CID 118216476
(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
CID 102316859
3-butan-2-yl-6-methylpiperazine-2,5-dione
CID 45359405
(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14023289

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 130754451) is (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one is CC[C@H](C)[C@H]1OC(=O)N[C@@H]1C.
What is the InChIKey of (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is NCGYUHWOSYCZNF-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5(2)7-6(3)9-8(10)11-7/h5-7H,4H2,1-3H3,(H,9,10)/t5-,6+,7+/m0/s1.
What are the key properties of (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one?
(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130754451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).