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

C10H11NO2S — CID 170887655

IUPAC3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
SMILESOCCCc1cc(-c2cccs2)on1
InChIInChI=1S/C10H11NO2S/c12-5-1-3-8-7-9(13-11-8)10-4-2-6-14-10/h2,4,6-7,12H,1,3,5H2
InChIKeyDRFDTQCDXOQALD-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.33
Rot. Bonds4

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

3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol (PubChem CID 170887655) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
PubChem CID170887655
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
SMILESOCCCc1cc(-c2cccs2)on1
InChIInChI=1S/C10H11NO2S/c12-5-1-3-8-7-9(13-11-8)10-4-2-6-14-10/h2,4,6-7,12H,1,3,5H2
InChIKeyDRFDTQCDXOQALD-UHFFFAOYSA-N
XLogP2.33
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol?
The IUPAC name of 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol (CID 170887655) is 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol is OCCCc1cc(-c2cccs2)on1.
What is the InChIKey of 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol?
The InChIKey is DRFDTQCDXOQALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-5-1-3-8-7-9(13-11-8)10-4-2-6-14-10/h2,4,6-7,12H,1,3,5H2.
What are the key properties of 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol?
3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol has a molecular weight of 209.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol is sourced from PubChem (CID 170887655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).