3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one

C23H16N4O2S — CID 1327416

IUPAC3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccccc1
InChIInChI=1S/C23H16N4O2S/c28-22-18-13-7-8-14-19(18)24-23(27(22)17-11-5-2-6-12-17)30-15-20-25-26-21(29-20)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyFKWLJCARBHHVLQ-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.73
Rot. Bonds5

About 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one

3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 1327416) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
PubChem CID1327416
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC Name3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccccc1
InChIInChI=1S/C23H16N4O2S/c28-22-18-13-7-8-14-19(18)24-23(27(22)17-11-5-2-6-12-17)30-15-20-25-26-21(29-20)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyFKWLJCARBHHVLQ-UHFFFAOYSA-N
XLogP4.73
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one (CID 1327416) is 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one is O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is FKWLJCARBHHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c28-22-18-13-7-8-14-19(18)24-23(27(22)17-11-5-2-6-12-17)30-15-20-25-26-21(29-20)16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one?
3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 412.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 1327416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).