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

C24H16F2N4O2S — CID 38868814

IUPAC2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2nc(Cc3ccccc3)no2)n1-c1ccc(F)cc1F
InChIInChI=1S/C24H16F2N4O2S/c25-16-10-11-20(18(26)13-16)30-23(31)17-8-4-5-9-19(17)27-24(30)33-14-22-28-21(29-32-22)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2
InChIKeyAOSWLOBWCYAWOS-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.93
Rot. Bonds6

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

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one (PubChem CID 38868814) has the molecular formula C24H16F2N4O2S and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
PubChem CID38868814
Molecular FormulaC24H16F2N4O2S
Molecular Weight462.48 g/mol
Exact Mass462.10
IUPAC Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2nc(Cc3ccccc3)no2)n1-c1ccc(F)cc1F
InChIInChI=1S/C24H16F2N4O2S/c25-16-10-11-20(18(26)13-16)30-23(31)17-8-4-5-9-19(17)27-24(30)33-14-22-28-21(29-32-22)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2
InChIKeyAOSWLOBWCYAWOS-UHFFFAOYSA-N
XLogP4.93
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one with MolForge

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Related Compounds

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 38869162
3-(2,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 37325451
2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 27914582
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 3631266
3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 36819270
N-benzyl-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2586169
3-(2,4-difluorophenyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 9491393
3-(2,4-difluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 2365295
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 38872873
6-fluoro-2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 131704085
2-(cyclohexylmethylsulfanyl)-3-(2,4-difluorophenyl)quinazolin-4-one
CID 7845486
3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
CID 2365337

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
The IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one (CID 38868814) is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
The canonical SMILES for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2nc(Cc3ccccc3)no2)n1-c1ccc(F)cc1F.
What is the InChIKey of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
The InChIKey is AOSWLOBWCYAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2S/c25-16-10-11-20(18(26)13-16)30-23(31)17-8-4-5-9-19(17)27-24(30)33-14-22-28-21(29-32-22)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2.
What are the key properties of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one?
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one has a molecular weight of 462.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one is sourced from PubChem (CID 38868814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).