3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole

C17H14N4O2S — CID 25480118

IUPAC3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCc1noc(CSc2nc(-c3ccco3)nc3ccccc23)n1
InChIInChI=1S/C17H14N4O2S/c1-2-14-19-15(23-21-14)10-24-17-11-6-3-4-7-12(11)18-16(20-17)13-8-5-9-22-13/h3-9H,2,10H2,1H3
InChIKeySPSKVDVNZFUKKV-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.13
Rot. Bonds5

About 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole

3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 25480118) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID25480118
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCc1noc(CSc2nc(-c3ccco3)nc3ccccc23)n1
InChIInChI=1S/C17H14N4O2S/c1-2-14-19-15(23-21-14)10-24-17-11-6-3-4-7-12(11)18-16(20-17)13-8-5-9-22-13/h3-9H,2,10H2,1H3
InChIKeySPSKVDVNZFUKKV-UHFFFAOYSA-N
XLogP4.13
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 17480601
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46687521
2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51297700
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 134056008
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
CID 17444347
N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 24585518
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 24585506
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47153877

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 25480118) is 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole is CCc1noc(CSc2nc(-c3ccco3)nc3ccccc23)n1.
What is the InChIKey of 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is SPSKVDVNZFUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-2-14-19-15(23-21-14)10-24-17-11-6-3-4-7-12(11)18-16(20-17)13-8-5-9-22-13/h3-9H,2,10H2,1H3.
What are the key properties of 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole?
3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25480118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).