1-(5-ethoxy-1,3-oxazol-2-yl)ethanol

C7H11NO3 — CID 45090957

IUPAC1-(5-ethoxy-1,3-oxazol-2-yl)ethanol
SMILESCCOc1cnc(C(C)O)o1
InChIInChI=1S/C7H11NO3/c1-3-10-6-4-8-7(11-6)5(2)9/h4-5,9H,3H2,1-2H3
InChIKeyAWKQRKKSCYEXOW-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.13
Rot. Bonds3

About 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol

1-(5-ethoxy-1,3-oxazol-2-yl)ethanol (PubChem CID 45090957) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-ethoxy-1,3-oxazol-2-yl)ethanol
PubChem CID45090957
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-(5-ethoxy-1,3-oxazol-2-yl)ethanol
SMILESCCOc1cnc(C(C)O)o1
InChIInChI=1S/C7H11NO3/c1-3-10-6-4-8-7(11-6)5(2)9/h4-5,9H,3H2,1-2H3
InChIKeyAWKQRKKSCYEXOW-UHFFFAOYSA-N
XLogP1.13
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol?
The IUPAC name of 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol (CID 45090957) is 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol?
The canonical SMILES for 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol is CCOc1cnc(C(C)O)o1.
What is the InChIKey of 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol?
The InChIKey is AWKQRKKSCYEXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-10-6-4-8-7(11-6)5(2)9/h4-5,9H,3H2,1-2H3.
What are the key properties of 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol?
1-(5-ethoxy-1,3-oxazol-2-yl)ethanol has a molecular weight of 157.17 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1,3-oxazol-2-yl)ethanol is sourced from PubChem (CID 45090957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).