2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole

C12H14N2OS — CID 166005373

IUPAC2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H14N2OS/c1-12(2,3)16-11-14-13-10(15-11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyFEOKVMFTVVPXJW-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.63
Rot. Bonds2

About 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole

2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 166005373) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
PubChem CID166005373
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H14N2OS/c1-12(2,3)16-11-14-13-10(15-11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyFEOKVMFTVVPXJW-UHFFFAOYSA-N
XLogP3.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
CID 156769453
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 47096897
2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 53495028
2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 155545609
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 52527187
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole (CID 166005373) is 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole is CC(C)(C)Sc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FEOKVMFTVVPXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-12(2,3)16-11-14-13-10(15-11)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole?
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 234.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 166005373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).