2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

C17H15FN2OS — CID 97320765

IUPAC2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS[C@H](c2ccccc2)c2ccc(F)cc2)o1
InChIInChI=1S/C17H15FN2OS/c1-12-19-20-16(21-12)11-22-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,17H,11H2,1H3/t17-/m1/s1
InChIKeyAWUFDOGFWALVBT-QGZVFWFLSA-N
MW314.39 g/mol
LogP4.54
Rot. Bonds5

About 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 97320765) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID97320765
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS[C@H](c2ccccc2)c2ccc(F)cc2)o1
InChIInChI=1S/C17H15FN2OS/c1-12-19-20-16(21-12)11-22-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,17H,11H2,1H3/t17-/m1/s1
InChIKeyAWUFDOGFWALVBT-QGZVFWFLSA-N
XLogP4.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol
CID 97009400
2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole
CID 97320755
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 114015374
2-methyl-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656410
2-methyl-5-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 78766183
2-[1-(2-bromophenyl)ethylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 84587426
2-[[(1R)-1-(2-bromophenyl)ethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 97224798
2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 8873789
2-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole
CID 64716915
2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 78814718

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (CID 97320765) is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CS[C@H](c2ccccc2)c2ccc(F)cc2)o1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is AWUFDOGFWALVBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-12-19-20-16(21-12)11-22-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,17H,11H2,1H3/t17-/m1/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 314.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 97320765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).