(3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol

C8H9NO2S — CID 603049

IUPAC(3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESOCC1CC(c2cccs2)=NO1
InChIInChI=1S/C8H9NO2S/c10-5-6-4-7(9-11-6)8-2-1-3-12-8/h1-3,6,10H,4-5H2
InChIKeyIJAQFIXXAFUKGP-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.23
Rot. Bonds2

About (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol

(3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol (PubChem CID 603049) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol
PubChem CID603049
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name(3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESOCC1CC(c2cccs2)=NO1
InChIInChI=1S/C8H9NO2S/c10-5-6-4-7(9-11-6)8-2-1-3-12-8/h1-3,6,10H,4-5H2
InChIKeyIJAQFIXXAFUKGP-UHFFFAOYSA-N
XLogP1.23
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol (CID 603049) is (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol is OCC1CC(c2cccs2)=NO1.
What is the InChIKey of (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The InChIKey is IJAQFIXXAFUKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-5-6-4-7(9-11-6)8-2-1-3-12-8/h1-3,6,10H,4-5H2.
What are the key properties of (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
(3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol has a molecular weight of 183.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 603049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).