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

C19H24N4O2S — CID 55533484

IUPAC3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
SMILESCCCCc1noc(CSc2nc3ccccc3c(=O)n2CCCC)n1
InChIInChI=1S/C19H24N4O2S/c1-3-5-11-16-21-17(25-22-16)13-26-19-20-15-10-8-7-9-14(15)18(24)23(19)12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
InChIKeyMHEALSZKQLLCOS-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.21
Rot. Bonds9

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

3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 55533484) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
PubChem CID55533484
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
SMILESCCCCc1noc(CSc2nc3ccccc3c(=O)n2CCCC)n1
InChIInChI=1S/C19H24N4O2S/c1-3-5-11-16-21-17(25-22-16)13-26-19-20-15-10-8-7-9-14(15)18(24)23(19)12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
InChIKeyMHEALSZKQLLCOS-UHFFFAOYSA-N
XLogP4.21
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one (CID 55533484) is 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one is CCCCc1noc(CSc2nc3ccccc3c(=O)n2CCCC)n1.
What is the InChIKey of 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is MHEALSZKQLLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-5-11-16-21-17(25-22-16)13-26-19-20-15-10-8-7-9-14(15)18(24)23(19)12-6-4-2/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 372.49 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 55533484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).