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

C5H7NO2 — CID 45086557

IUPAC(4S)-2,4-dimethyl-4H-1,3-oxazol-5-one
SMILESCC1=N[C@@H](C)C(=O)O1
InChIInChI=1S/C5H7NO2/c1-3-5(7)8-4(2)6-3/h3H,1-2H3/t3-/m0/s1
InChIKeyRJUMBKYAQIKACS-VKHMYHEASA-N
MW113.12 g/mol
LogP0.35
Rot. Bonds

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

(4S)-2,4-dimethyl-4H-1,3-oxazol-5-one (PubChem CID 45086557) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-4H-1,3-oxazol-5-one
PubChem CID45086557
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(4S)-2,4-dimethyl-4H-1,3-oxazol-5-one
SMILESCC1=N[C@@H](C)C(=O)O1
InChIInChI=1S/C5H7NO2/c1-3-5(7)8-4(2)6-3/h3H,1-2H3/t3-/m0/s1
InChIKeyRJUMBKYAQIKACS-VKHMYHEASA-N
XLogP0.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one?
The IUPAC name of (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one (CID 45086557) is (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one is CC1=N[C@@H](C)C(=O)O1.
What is the InChIKey of (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one?
The InChIKey is RJUMBKYAQIKACS-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-5(7)8-4(2)6-3/h3H,1-2H3/t3-/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one?
(4S)-2,4-dimethyl-4H-1,3-oxazol-5-one has a molecular weight of 113.12 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 45086557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).