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

C7H13NO3 — CID 58965088

IUPAC2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol
SMILESCC1=NOC(COCCO)C1
InChIInChI=1S/C7H13NO3/c1-6-4-7(11-8-6)5-10-3-2-9/h7,9H,2-5H2,1H3
InChIKeyREBAVZPPRUNJAJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.16
Rot. Bonds4

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

2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol (PubChem CID 58965088) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol
PubChem CID58965088
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol
SMILESCC1=NOC(COCCO)C1
InChIInChI=1S/C7H13NO3/c1-6-4-7(11-8-6)5-10-3-2-9/h7,9H,2-5H2,1H3
InChIKeyREBAVZPPRUNJAJ-UHFFFAOYSA-N
XLogP0.16
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 12701348
(3-Ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 14143956
1-(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
CID 14200424
3-[(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propane-1,2-diol
CID 58965099
3-Methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole
CID 58965110
1-[(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol
CID 58965115
(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89224807
(5Z)-5-hydroxyimino-3-(2-hydroxypropoxy)hexan-2-ol
CID 140988325
5-(Methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142863100
1-(2-Hydroxy-4-hydroxyiminopentoxy)-4-hydroxyiminopentan-2-ol
CID 174363355
[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 10898694
[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 10909539

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol?
The IUPAC name of 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol (CID 58965088) is 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol?
The canonical SMILES for 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol is CC1=NOC(COCCO)C1.
What is the InChIKey of 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol?
The InChIKey is REBAVZPPRUNJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6-4-7(11-8-6)5-10-3-2-9/h7,9H,2-5H2,1H3.
What are the key properties of 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol?
2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol has a molecular weight of 159.18 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol is sourced from PubChem (CID 58965088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).