3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol

C8H15NO4 — CID 58965099

IUPAC3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol
SMILESCC1=NOC(COCC(O)CO)C1
InChIInChI=1S/C8H15NO4/c1-6-2-8(13-9-6)5-12-4-7(11)3-10/h7-8,10-11H,2-5H2,1H3
InChIKeyHMTBRHFYGVSGRD-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.48
Rot. Bonds5

About 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol

3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol (PubChem CID 58965099) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol
PubChem CID58965099
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol
SMILESCC1=NOC(COCC(O)CO)C1
InChIInChI=1S/C8H15NO4/c1-6-2-8(13-9-6)5-12-4-7(11)3-10/h7-8,10-11H,2-5H2,1H3
InChIKeyHMTBRHFYGVSGRD-UHFFFAOYSA-N
XLogP-0.48
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol?
The IUPAC name of 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol (CID 58965099) is 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol.
What is the SMILES notation for 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol?
The canonical SMILES for 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol is CC1=NOC(COCC(O)CO)C1.
What is the InChIKey of 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol?
The InChIKey is HMTBRHFYGVSGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6-2-8(13-9-6)5-12-4-7(11)3-10/h7-8,10-11H,2-5H2,1H3.
What are the key properties of 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol?
3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol has a molecular weight of 189.21 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol is sourced from PubChem (CID 58965099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).