2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

C19H16N4OS — CID 973570

IUPAC2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cn2ccnc2SCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H16N4OS/c1-3-7-15(8-4-1)13-23-12-11-20-19(23)25-14-17-21-22-18(24-17)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyBOAATBNFDPLCCW-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.27
Rot. Bonds6

About 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 973570) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID973570
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cn2ccnc2SCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H16N4OS/c1-3-7-15(8-4-1)13-23-12-11-20-19(23)25-14-17-21-22-18(24-17)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyBOAATBNFDPLCCW-UHFFFAOYSA-N
XLogP4.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 973570) is 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(Cn2ccnc2SCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is BOAATBNFDPLCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-3-7-15(8-4-1)13-23-12-11-20-19(23)25-14-17-21-22-18(24-17)16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 348.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 973570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).