(5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one

C7H9NO2 — CID 129498556

IUPAC(5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one
SMILESC#C[C@H]1CN(CC)C(=O)O1
InChIInChI=1S/C7H9NO2/c1-3-6-5-8(4-2)7(9)10-6/h1,6H,4-5H2,2H3/t6-/m0/s1
InChIKeyFYVWJWVUIPUSDW-LURJTMIESA-N
MW139.15 g/mol
LogP0.46
Rot. Bonds1

About (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one

(5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one (PubChem CID 129498556) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one
PubChem CID129498556
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one
SMILESC#C[C@H]1CN(CC)C(=O)O1
InChIInChI=1S/C7H9NO2/c1-3-6-5-8(4-2)7(9)10-6/h1,6H,4-5H2,2H3/t6-/m0/s1
InChIKeyFYVWJWVUIPUSDW-LURJTMIESA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-Hydroxypropyl)-5-methyl-2-oxazolidinone
CID 18802
3-Methyl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
CID 294722
(5S)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 58653718
3-(But-3-yn-1-yl)-1,3-oxazolidin-2-one
CID 11607926
(5R)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 72545094
2-Oxazolidinone, 3-propyl-5-(2-propynyloxymethyl)-
CID 211837
tert-butyl (4R,5R)-4-ethynyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 12970128
2-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965
2-Oxazolidinone, 3-(2-propynyl)-
CID 11542783
3,5-Dimethyl-1,3-oxazolidin-2-one
CID 13432443
tert-butyl (4S,5S)-4-ethynyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 165650080
3-Propyl-1,3-oxazolidin-2-one
CID 12238104

Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one (CID 129498556) is (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one is C#C[C@H]1CN(CC)C(=O)O1.
What is the InChIKey of (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one?
The InChIKey is FYVWJWVUIPUSDW-LURJTMIESA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-6-5-8(4-2)7(9)10-6/h1,6H,4-5H2,2H3/t6-/m0/s1.
What are the key properties of (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one?
(5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 129498556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).