(5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol

C13H10N2O2S — CID 4964129

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol
SMILESOC(c1nnc(-c2ccccc2)o1)c1cccs1
InChIInChI=1S/C13H10N2O2S/c16-11(10-7-4-8-18-10)13-15-14-12(17-13)9-5-2-1-3-6-9/h1-8,11,16H
InChIKeyOTYYVUDRHQDNBY-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.88
Rot. Bonds3

About (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol

(5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol (PubChem CID 4964129) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol
PubChem CID4964129
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol
SMILESOC(c1nnc(-c2ccccc2)o1)c1cccs1
InChIInChI=1S/C13H10N2O2S/c16-11(10-7-4-8-18-10)13-15-14-12(17-13)9-5-2-1-3-6-9/h1-8,11,16H
InChIKeyOTYYVUDRHQDNBY-UHFFFAOYSA-N
XLogP2.88
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol (CID 4964129) is (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol is OC(c1nnc(-c2ccccc2)o1)c1cccs1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol?
The InChIKey is OTYYVUDRHQDNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-11(10-7-4-8-18-10)13-15-14-12(17-13)9-5-2-1-3-6-9/h1-8,11,16H.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol?
(5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol has a molecular weight of 258.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 4964129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).