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

C23H17N3O3S — CID 9491409

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H17N3O3S/c1-15-8-10-17(11-9-15)26-22(27)18-5-2-3-6-19(18)24-23(26)30-14-16-13-21(29-25-16)20-7-4-12-28-20/h2-13H,14H2,1H3
InChIKeyJGYMXEPODFGJRC-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.23
Rot. Bonds5

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

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 9491409) 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-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
PubChem CID9491409
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H17N3O3S/c1-15-8-10-17(11-9-15)26-22(27)18-5-2-3-6-19(18)24-23(26)30-14-16-13-21(29-25-16)20-7-4-12-28-20/h2-13H,14H2,1H3
InChIKeyJGYMXEPODFGJRC-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

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

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 9491337
3-[4-[(2R)-butan-2-yl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 7629175
2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 14575169
5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 8684722
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
CID 42585691
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8945326
2-(2-chloroprop-2-enylsulfanyl)-3-(4-methylphenyl)quinazolin-4-one
CID 8871503
trimethyl-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium
CID 1283471
2-benzylsulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 2385702

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one (CID 9491409) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is JGYMXEPODFGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-15-8-10-17(11-9-15)26-22(27)18-5-2-3-6-19(18)24-23(26)30-14-16-13-21(29-25-16)20-7-4-12-28-20/h2-13H,14H2,1H3.
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-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-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 9491409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).