(5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol

C11H8N2O2S — CID 178133817

IUPAC(5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol
SMILESOCc1cc(-c2nccc3sccc23)on1
InChIInChI=1S/C11H8N2O2S/c14-6-7-5-9(15-13-7)11-8-2-4-16-10(8)1-3-12-11/h1-5,14H,6H2
InChIKeyWXHGBVZMRQISCE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.44
Rot. Bonds2

About (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol

(5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol (PubChem CID 178133817) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol
PubChem CID178133817
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name(5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol
SMILESOCc1cc(-c2nccc3sccc23)on1
InChIInChI=1S/C11H8N2O2S/c14-6-7-5-9(15-13-7)11-8-2-4-16-10(8)1-3-12-11/h1-5,14H,6H2
InChIKeyWXHGBVZMRQISCE-UHFFFAOYSA-N
XLogP2.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol (CID 178133817) is (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol is OCc1cc(-c2nccc3sccc23)on1.
What is the InChIKey of (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol?
The InChIKey is WXHGBVZMRQISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-6-7-5-9(15-13-7)11-8-2-4-16-10(8)1-3-12-11/h1-5,14H,6H2.
What are the key properties of (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol?
(5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol has a molecular weight of 232.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 178133817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).