(5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one

C6H9NO2 — CID 89029803

IUPAC(5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one
SMILESCCC1=NC(=O)O[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-5-4(2)9-6(8)7-5/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyPCHZIMVKZLFNOU-SCSAIBSYSA-N
MW127.14 g/mol
LogP1.38
Rot. Bonds1

About (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one

(5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one (PubChem CID 89029803) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name(5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one
PubChem CID89029803
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one
SMILESCCC1=NC(=O)O[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-5-4(2)9-6(8)7-5/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyPCHZIMVKZLFNOU-SCSAIBSYSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one?
The IUPAC name of (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one (CID 89029803) is (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one.
What is the SMILES notation for (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one?
The canonical SMILES for (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one is CCC1=NC(=O)O[C@@H]1C.
What is the InChIKey of (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one?
The InChIKey is PCHZIMVKZLFNOU-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-5-4(2)9-6(8)7-5/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one?
(5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one has a molecular weight of 127.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-ethyl-5-methyl-5H-1,3-oxazol-2-one is sourced from PubChem (CID 89029803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).