2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one

C23H17N3O3S — CID 9491337

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(SCc2cc(-c3ccco3)on2)nc2ccccc2c1=O
InChIInChI=1S/C23H17N3O3S/c1-15-7-2-5-10-19(15)26-22(27)17-8-3-4-9-18(17)24-23(26)30-14-16-13-21(29-25-16)20-11-6-12-28-20/h2-13H,14H2,1H3
InChIKeyXWPUADKYEGYAJH-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.23
Rot. Bonds5

About 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 9491337) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID9491337
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(SCc2cc(-c3ccco3)on2)nc2ccccc2c1=O
InChIInChI=1S/C23H17N3O3S/c1-15-7-2-5-10-19(15)26-22(27)17-8-3-4-9-18(17)24-23(26)30-14-16-13-21(29-25-16)20-11-6-12-28-20/h2-13H,14H2,1H3
InChIKeyXWPUADKYEGYAJH-UHFFFAOYSA-N
XLogP5.23
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
CID 9491409
2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3492101
3-(2-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8873721
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 5028946
3-(2-methylphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one
CID 3917388
3-(2,5-dimethylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 7896163
5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
CID 18201699
3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 2392049
3-(2-methylphenyl)-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one
CID 71521988
3-(2-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)quinazolin-4-one
CID 51142904
N-[(E)-furan-2-ylmethylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6878975
3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2588505

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one (CID 9491337) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(SCc2cc(-c3ccco3)on2)nc2ccccc2c1=O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is XWPUADKYEGYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-15-7-2-5-10-19(15)26-22(27)17-8-3-4-9-18(17)24-23(26)30-14-16-13-21(29-25-16)20-11-6-12-28-20/h2-13H,14H2,1H3.
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 415.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 9491337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).