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

C18H20N4O2S — CID 55997776

IUPAC3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
SMILESCCc1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)no1
InChIInChI=1S/C18H20N4O2S/c1-2-16-20-15(21-24-16)11-25-18-19-14-10-6-5-9-13(14)17(23)22(18)12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyZTKJLRXYVSYXDA-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.75
Rot. Bonds5

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

3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 55997776) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
PubChem CID55997776
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
SMILESCCc1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)no1
InChIInChI=1S/C18H20N4O2S/c1-2-16-20-15(21-24-16)11-25-18-19-14-10-6-5-9-13(14)17(23)22(18)12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyZTKJLRXYVSYXDA-UHFFFAOYSA-N
XLogP3.75
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one (CID 55997776) is 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one is CCc1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is ZTKJLRXYVSYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-16-20-15(21-24-16)11-25-18-19-14-10-6-5-9-13(14)17(23)22(18)12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 356.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 55997776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).