(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one

C8H15NO2 — CID 14023289

IUPAC(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C8H15NO2/c1-4-6-7(5(2)3)9-8(10)11-6/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyYLSLYJVXEFAHBV-RQJHMYQMSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds2

About (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 14023289) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID14023289
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C8H15NO2/c1-4-6-7(5(2)3)9-8(10)11-6/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyYLSLYJVXEFAHBV-RQJHMYQMSA-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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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 14023289) is (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@H]1OC(=O)N[C@H]1C(C)C.
What is the InChIKey of (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YLSLYJVXEFAHBV-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-7(5(2)3)9-8(10)11-6/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7+/m1/s1.
What are the key properties of (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5R)-5-ethyl-4-propan-2-yl-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 (4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14023289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).