2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

C21H14F2N2OS — CID 52527187

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(C(Sc2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14F2N2OS/c22-17-10-6-14(7-11-17)19(15-8-12-18(23)13-9-15)27-21-25-24-20(26-21)16-4-2-1-3-5-16/h1-13,19H
InChIKeyCGIZOXXPNVUGRL-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.90
Rot. Bonds5

About 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 52527187) has the molecular formula C21H14F2N2OS and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID52527187
Molecular FormulaC21H14F2N2OS
Molecular Weight380.42 g/mol
Exact Mass380.08
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(C(Sc2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14F2N2OS/c22-17-10-6-14(7-11-17)19(15-8-12-18(23)13-9-15)27-21-25-24-20(26-21)16-4-2-1-3-5-16/h1-13,19H
InChIKeyCGIZOXXPNVUGRL-UHFFFAOYSA-N
XLogP5.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(4-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 112787243
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484150
2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 7412473
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 7704885
2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
CID 156769453
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 4814019
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 82044382
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415
2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 71814576

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 52527187) is 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccc(C(Sc2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CGIZOXXPNVUGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2OS/c22-17-10-6-14(7-11-17)19(15-8-12-18(23)13-9-15)27-21-25-24-20(26-21)16-4-2-1-3-5-16/h1-13,19H.
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 380.42 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 52527187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).