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

C23H18N4O3S — CID 46429084

IUPAC3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one
SMILESCc1cccc(-c2nc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)no2)c1
InChIInChI=1S/C23H18N4O3S/c1-15-6-4-7-16(12-15)21-25-20(26-30-21)14-31-23-24-19-10-3-2-9-18(19)22(28)27(23)13-17-8-5-11-29-17/h2-12H,13-14H2,1H3
InChIKeyFEMWWBWMNNFEHK-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.69
Rot. Bonds6

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

3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one (PubChem CID 46429084) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one
PubChem CID46429084
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one
SMILESCc1cccc(-c2nc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)no2)c1
InChIInChI=1S/C23H18N4O3S/c1-15-6-4-7-16(12-15)21-25-20(26-30-21)14-31-23-24-19-10-3-2-9-18(19)22(28)27(23)13-17-8-5-11-29-17/h2-12H,13-14H2,1H3
InChIKeyFEMWWBWMNNFEHK-UHFFFAOYSA-N
XLogP4.69
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-(furan-2-ylmethyl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 24577196
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 42585600
3-benzyl-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 91811190
3-(furan-2-ylmethyl)-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one
CID 16510950
5-(3-chlorophenyl)-3-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 90710045
5-(3-methylphenyl)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 10248145
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510943
4-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26962068
3-(furan-2-ylmethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17022349
7-chloro-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 7906332
5-(3-chlorophenyl)-3-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 67070584
3-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methoxybenzaldehyde
CID 19582578

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one (CID 46429084) is 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one is Cc1cccc(-c2nc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)no2)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one?
The InChIKey is FEMWWBWMNNFEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-15-6-4-7-16(12-15)21-25-20(26-30-21)14-31-23-24-19-10-3-2-9-18(19)22(28)27(23)13-17-8-5-11-29-17/h2-12H,13-14H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one?
3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one has a molecular weight of 430.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 46429084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).