(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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Related Compounds

[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 123274472
(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2123355
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
CID 70130064
2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
CID 63437840
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187

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).