2,4-dimethyl-5H-1,2-oxazol-5-ol

C5H9NO2 — CID 147164139

IUPAC2,4-dimethyl-5H-1,2-oxazol-5-ol
SMILESCC1=CN(C)OC1O
InChIInChI=1S/C5H9NO2/c1-4-3-6(2)8-5(4)7/h3,5,7H,1-2H3
InChIKeyBWKQZZRIIUYFII-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.09
Rot. Bonds

About 2,4-dimethyl-5H-1,2-oxazol-5-ol

2,4-dimethyl-5H-1,2-oxazol-5-ol (PubChem CID 147164139) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2,4-dimethyl-5H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name2,4-dimethyl-5H-1,2-oxazol-5-ol
PubChem CID147164139
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2,4-dimethyl-5H-1,2-oxazol-5-ol
SMILESCC1=CN(C)OC1O
InChIInChI=1S/C5H9NO2/c1-4-3-6(2)8-5(4)7/h3,5,7H,1-2H3
InChIKeyBWKQZZRIIUYFII-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-5H-1,2-oxazole-4-carbaldehyde
CID 22329245
2,5-dimethyl-5H-1,2-oxazole
CID 18779438
2,4-dimethylcyclobut-2-en-1-ol
CID 173489444
3,5,6-trimethylcyclohexa-2,4-dien-1-ol
CID 152794150
N'-[(2,5-dimethyl-5H-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 70457851
(2,5-dimethyl-5H-1,2-oxazol-4-yl)-(4-methylphenyl)-(1,3,5-trithian-2-yl)methanol
CID 19825196
2,5-dimethyl-2H-pyran-3-ol
CID 173074242
(4S,5S)-4-hydroxy-2-methyl-5-phenyl-1,2-oxazolidin-3-one
CID 131102376
1,5-diethyl-3-methyl-2H-pyridin-2-ol
CID 123967917
2,4,6-trimethyl-2,3-dihydro-1,4-oxazine
CID 19862111
(5R)-5-ethyl-3-methyl-2,5-dihydrofuran-2-ol
CID 59796329
1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride
CID 131674871

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5H-1,2-oxazol-5-ol?
The IUPAC name of 2,4-dimethyl-5H-1,2-oxazol-5-ol (CID 147164139) is 2,4-dimethyl-5H-1,2-oxazol-5-ol.
What is the SMILES notation for 2,4-dimethyl-5H-1,2-oxazol-5-ol?
The canonical SMILES for 2,4-dimethyl-5H-1,2-oxazol-5-ol is CC1=CN(C)OC1O.
What is the InChIKey of 2,4-dimethyl-5H-1,2-oxazol-5-ol?
The InChIKey is BWKQZZRIIUYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-3-6(2)8-5(4)7/h3,5,7H,1-2H3.
What are the key properties of 2,4-dimethyl-5H-1,2-oxazol-5-ol?
2,4-dimethyl-5H-1,2-oxazol-5-ol has a molecular weight of 115.13 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5H-1,2-oxazol-5-ol is sourced from PubChem (CID 147164139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).