(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

C7H13NO2 — CID 15320772

IUPAC(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@H](C)OC1=O
InChIInChI=1S/C7H13NO2/c1-5(2)8-4-6(3)10-7(8)9/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyXNMXPJTYVKWCLY-LURJTMIESA-N
MW143.19 g/mol
LogP1.24
Rot. Bonds1

About (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 15320772) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID15320772
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@H](C)OC1=O
InChIInChI=1S/C7H13NO2/c1-5(2)8-4-6(3)10-7(8)9/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyXNMXPJTYVKWCLY-LURJTMIESA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 142143749
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 45096024
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
CID 156532561
N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110726007
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 166755310
5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
CID 117002200
2-oxo-3-propan-2-yl-1,3-oxazinane-5-carboxylic acid
CID 83847070
ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 142623214
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
ethenamine;3-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 172711491

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (CID 15320772) is (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C[C@H](C)OC1=O.
What is the InChIKey of (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is XNMXPJTYVKWCLY-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)8-4-6(3)10-7(8)9/h5-6H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15320772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).