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

C7H13NO2 — CID 134849850

IUPAC[(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESCCC[C@H]1CC(CO)=NO1
InChIInChI=1S/C7H13NO2/c1-2-3-7-4-6(5-9)8-10-7/h7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyNGHGDTBAMGPCGL-ZETCQYMHSA-N
MW143.19 g/mol
LogP0.92
Rot. Bonds3

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

[(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol (PubChem CID 134849850) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol
PubChem CID134849850
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name[(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESCCC[C@H]1CC(CO)=NO1
InChIInChI=1S/C7H13NO2/c1-2-3-7-4-6(5-9)8-10-7/h7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyNGHGDTBAMGPCGL-ZETCQYMHSA-N
XLogP0.92
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The IUPAC name of [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol (CID 134849850) is [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol is CCC[C@H]1CC(CO)=NO1.
What is the InChIKey of [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The InChIKey is NGHGDTBAMGPCGL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-7-4-6(5-9)8-10-7/h7,9H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
[(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol has a molecular weight of 143.19 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-propyl-4,5-dihydro-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 134849850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).