2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide

C22H16FN5O4S — CID 50786589

IUPAC2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(-c2nc(-c3ccc(F)cc3)no2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12
InChIInChI=1S/C22H16FN5O4S/c1-12-17-21(25-11-28(22(17)30)10-16(29)24-9-15-3-2-8-31-15)33-18(12)20-26-19(27-32-20)13-4-6-14(23)7-5-13/h2-8,11H,9-10H2,1H3,(H,24,29)
InChIKeyZSDPHLUKQAZQEU-UHFFFAOYSA-N
MW465.47 g/mol
LogP3.53
Rot. Bonds6

About 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide

2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 50786589) has the molecular formula C22H16FN5O4S and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID50786589
Molecular FormulaC22H16FN5O4S
Molecular Weight465.47 g/mol
Exact Mass465.09
IUPAC Name2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(-c2nc(-c3ccc(F)cc3)no2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12
InChIInChI=1S/C22H16FN5O4S/c1-12-17-21(25-11-28(22(17)30)10-16(29)24-9-15-3-2-8-31-15)33-18(12)20-26-19(27-32-20)13-4-6-14(23)7-5-13/h2-8,11H,9-10H2,1H3,(H,24,29)
InChIKeyZSDPHLUKQAZQEU-UHFFFAOYSA-N
XLogP3.53
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 50786589) is 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide is Cc1c(-c2nc(-c3ccc(F)cc3)no2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12.
What is the InChIKey of 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZSDPHLUKQAZQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O4S/c1-12-17-21(25-11-28(22(17)30)10-16(29)24-9-15-3-2-8-31-15)33-18(12)20-26-19(27-32-20)13-4-6-14(23)7-5-13/h2-8,11H,9-10H2,1H3,(H,24,29).
What are the key properties of 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 465.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 50786589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).