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

C15H11BrN2OS — CID 717082

IUPAC2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(CSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11BrN2OS/c16-13-8-6-11(7-9-13)10-20-15-18-17-14(19-15)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyYDJAOINOTAKOOZ-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.79
Rot. Bonds4

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

2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 717082) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID717082
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(CSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11BrN2OS/c16-13-8-6-11(7-9-13)10-20-15-18-17-14(19-15)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyYDJAOINOTAKOOZ-UHFFFAOYSA-N
XLogP4.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 1309344
2-(4-bromophenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 24521262
2-benzylsulfanyl-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060735
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 31048483
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
2-benzylsulfanyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 56970576
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-(3-methylphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7417780
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-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 155545609
2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212253
3-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 53495040

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 717082) is 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is Brc1ccc(CSc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is YDJAOINOTAKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c16-13-8-6-11(7-9-13)10-20-15-18-17-14(19-15)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 347.24 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 717082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).