(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol

C5H9NO2 — CID 23397001

IUPAC(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
SMILESCC1CC(CO)=NO1
InChIInChI=1S/C5H9NO2/c1-4-2-5(3-7)6-8-4/h4,7H,2-3H2,1H3
InChIKeyVESQBUPIOORQDE-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.14
Rot. Bonds1

About (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol

(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol (PubChem CID 23397001) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
PubChem CID23397001
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
SMILESCC1CC(CO)=NO1
InChIInChI=1S/C5H9NO2/c1-4-2-5(3-7)6-8-4/h4,7H,2-3H2,1H3
InChIKeyVESQBUPIOORQDE-UHFFFAOYSA-N
XLogP0.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 12701348
4,5-Dihydro-5,5-dimethyl-3-isoxazolemethanol
CID 102278697
3-Isoxazolemethanol, 4,5-dihydro-5-(trifluoromethyl)-
CID 71662966
[5-(Fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 129018358
2,2,2-Trifluoro-1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)ethanol
CID 132175130
[(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 134849850
(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol
CID 134971372
(3E)-3-hydroxyiminobutan-2-ol
CID 12354459
(3-Ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 14143956
1-(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
CID 14200424
(NE)-N-(2-methoxycyclopentylidene)hydroxylamine
CID 14764764
(3E)-3-methoxyiminobutan-2-ol
CID 14870176

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol (CID 23397001) is (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol is CC1CC(CO)=NO1.
What is the InChIKey of (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol?
The InChIKey is VESQBUPIOORQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-2-5(3-7)6-8-4/h4,7H,2-3H2,1H3.
What are the key properties of (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol?
(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol has a molecular weight of 115.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 23397001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).