2,4-dimethyl-4H-1,3-oxazol-5-one

C5H7NO2 — CID 11051610

IUPAC2,4-dimethyl-4H-1,3-oxazol-5-one
SMILESCC1C(=O)OC(=N1)C
InChIInChI=1S/C5H7NO2/c1-3-5(7)8-4(2)6-3/h3H,1-2H3
InChIKeyRJUMBKYAQIKACS-UHFFFAOYSA-N
MW113.11 g/mol
LogP0.20
Rot. Bonds

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

2,4-dimethyl-4H-1,3-oxazol-5-one (PubChem CID 11051610) has the molecular formula C5H7NO2 and a molecular weight of 113.11 g/mol. Its IUPAC name is 2,4-dimethyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2,4-dimethyl-4H-1,3-oxazol-5-one
PubChem CID11051610
Molecular FormulaC5H7NO2
Molecular Weight113.11 g/mol
Exact Mass113.05
IUPAC Name2,4-dimethyl-4H-1,3-oxazol-5-one
SMILESCC1C(=O)OC(=N1)C
InChIInChI=1S/C5H7NO2/c1-3-5(7)8-4(2)6-3/h3H,1-2H3
InChIKeyRJUMBKYAQIKACS-UHFFFAOYSA-N
XLogP0.20
TPSA38.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.11
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5(4H)-oxazolone
CID 193602
2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
CID 366908
4-Ethoxycarbonyl-2-methyl-2-oxazoline
CID 538229
4-Methyl-2-(trifluoromethyl)-5(4H)-oxazolone
CID 12412850
Methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10844497
Methyl 2-(propan-2-ylideneamino)propanoate
CID 20720120
2-tert-butyl-4-methyl-4H-1,3-oxazol-5-one
CID 12246766
methyl (4S)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 29928452
(2S)-Ethyl-4-methyl-3,5-oxazolinecarboxylate
CID 10953777
(4S)-2,4-dimethyl-4H-1,3-oxazol-5-one
CID 45086557
4-methyl-4H-1,3-oxazol-5-one
CID 19078029
Methyl 2-(ethylideneamino)propanoate
CID 23394348

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2,4-dimethyl-4H-1,3-oxazol-5-one (CID 11051610) is 2,4-dimethyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2,4-dimethyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2,4-dimethyl-4H-1,3-oxazol-5-one is CC1C(=O)OC(=N1)C.
What is the InChIKey of 2,4-dimethyl-4H-1,3-oxazol-5-one?
The InChIKey is RJUMBKYAQIKACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-5(7)8-4(2)6-3/h3H,1-2H3.
What are the key properties of 2,4-dimethyl-4H-1,3-oxazol-5-one?
2,4-dimethyl-4H-1,3-oxazol-5-one has a molecular weight of 113.11 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 11051610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).