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

C8H15NO2 — CID 25212903

IUPAC[(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC(C)CC1=NO[C@H](CO)C1
InChIInChI=1S/C8H15NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h6,8,10H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyHLKUMJVRFJTVSO-QMMMGPOBSA-N
MW157.21 g/mol
LogP1.17
Rot. Bonds3

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

[(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 25212903) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID25212903
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC(C)CC1=NO[C@H](CO)C1
InChIInChI=1S/C8H15NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h6,8,10H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyHLKUMJVRFJTVSO-QMMMGPOBSA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 25212903) is [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is CC(C)CC1=NO[C@H](CO)C1.
What is the InChIKey of [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is HLKUMJVRFJTVSO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h6,8,10H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 25212903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).