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

C8H13NO2 — CID 99717196

IUPAC3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol
SMILESCCc1cc(CCCO)on1
InChIInChI=1S/C8H13NO2/c1-2-7-6-8(11-9-7)4-3-5-10/h6,10H,2-5H2,1H3
InChIKeyOMWJUISCNXFRFS-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.16
Rot. Bonds4

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

3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol (PubChem CID 99717196) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol
PubChem CID99717196
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol
SMILESCCc1cc(CCCO)on1
InChIInChI=1S/C8H13NO2/c1-2-7-6-8(11-9-7)4-3-5-10/h6,10H,2-5H2,1H3
InChIKeyOMWJUISCNXFRFS-UHFFFAOYSA-N
XLogP1.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol?
The IUPAC name of 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol (CID 99717196) is 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol is CCc1cc(CCCO)on1.
What is the InChIKey of 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol?
The InChIKey is OMWJUISCNXFRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-7-6-8(11-9-7)4-3-5-10/h6,10H,2-5H2,1H3.
What are the key properties of 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol?
3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2-oxazol-5-yl)propan-1-ol is sourced from PubChem (CID 99717196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).