(S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol

C14H12N2O2S — CID 2393134

IUPAC(S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESCc1ccsc1[C@@H](O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H12N2O2S/c1-9-7-8-19-12(9)11(17)14-16-15-13(18-14)10-5-3-2-4-6-10/h2-8,11,17H,1H3/t11-/m1/s1
InChIKeyYOZNTAPLGVBFNT-LLVKDONJSA-N
MW272.33 g/mol
LogP3.19
Rot. Bonds3

About (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol

(S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (PubChem CID 2393134) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
PubChem CID2393134
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESCc1ccsc1[C@@H](O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H12N2O2S/c1-9-7-8-19-12(9)11(17)14-16-15-13(18-14)10-5-3-2-4-6-10/h2-8,11,17H,1H3/t11-/m1/s1
InChIKeyYOZNTAPLGVBFNT-LLVKDONJSA-N
XLogP3.19
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The IUPAC name of (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (CID 2393134) is (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.
What is the SMILES notation for (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The canonical SMILES for (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is Cc1ccsc1[C@@H](O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The InChIKey is YOZNTAPLGVBFNT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-7-8-19-12(9)11(17)14-16-15-13(18-14)10-5-3-2-4-6-10/h2-8,11,17H,1H3/t11-/m1/s1.
What are the key properties of (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
(S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol has a molecular weight of 272.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is sourced from PubChem (CID 2393134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).