(4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one

C8H13NO2 — CID 130840828

IUPAC(4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one
SMILESCCCCC1=N[C@@H](C)C(=O)O1
InChIInChI=1S/C8H13NO2/c1-3-4-5-7-9-6(2)8(10)11-7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyLTALPAWAYGIDDG-LURJTMIESA-N
MW155.20 g/mol
LogP1.52
Rot. Bonds3

About (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one

(4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one (PubChem CID 130840828) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one
PubChem CID130840828
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one
SMILESCCCCC1=N[C@@H](C)C(=O)O1
InChIInChI=1S/C8H13NO2/c1-3-4-5-7-9-6(2)8(10)11-7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyLTALPAWAYGIDDG-LURJTMIESA-N
XLogP1.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one (CID 130840828) is (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one is CCCCC1=N[C@@H](C)C(=O)O1.
What is the InChIKey of (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one?
The InChIKey is LTALPAWAYGIDDG-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-5-7-9-6(2)8(10)11-7/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one?
(4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one has a molecular weight of 155.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-butyl-4-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 130840828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).