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

C5H9NO2 — CID 10909539

IUPAC[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC1=NO[C@H](CO)C1
InChIInChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyIULDMOIFJXPJQE-YFKPBYRVSA-N
MW115.13 g/mol
LogP0.14
Rot. Bonds1

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

[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 10909539) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID10909539
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC1=NO[C@H](CO)C1
InChIInChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyIULDMOIFJXPJQE-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 10909539) is [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is CC1=NO[C@H](CO)C1.
What is the InChIKey of [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is IULDMOIFJXPJQE-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-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 [(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 10909539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).