2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol

C6H11NO2 — CID 118528273

IUPAC2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol
SMILESCC(C)(O)C1=NOCC1
InChIInChI=1S/C6H11NO2/c1-6(2,8)5-3-4-9-7-5/h8H,3-4H2,1-2H3
InChIKeyKZTNBYQXRIYWQJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.53
Rot. Bonds1

About 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol

2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol (PubChem CID 118528273) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol
PubChem CID118528273
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol
SMILESCC(C)(O)C1=NOCC1
InChIInChI=1S/C6H11NO2/c1-6(2,8)5-3-4-9-7-5/h8H,3-4H2,1-2H3
InChIKeyKZTNBYQXRIYWQJ-UHFFFAOYSA-N
XLogP0.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
The IUPAC name of 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol (CID 118528273) is 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol is CC(C)(O)C1=NOCC1.
What is the InChIKey of 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
The InChIKey is KZTNBYQXRIYWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2,8)5-3-4-9-7-5/h8H,3-4H2,1-2H3.
What are the key properties of 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol has a molecular weight of 129.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol is sourced from PubChem (CID 118528273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).