2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H15FN4O4S — CID 46922595

IUPAC2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)no1
InChIInChI=1S/C19H15FN4O4S/c1-11-8-15(22-28-11)21-16(25)10-23-14-6-7-29-17(14)18(26)24(19(23)27)9-12-2-4-13(20)5-3-12/h2-8H,9-10H2,1H3,(H,21,22,25)
InChIKeyQVLCXYIMUYVUQV-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 46922595) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID46922595
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)no1
InChIInChI=1S/C19H15FN4O4S/c1-11-8-15(22-28-11)21-16(25)10-23-14-6-7-29-17(14)18(26)24(19(23)27)9-12-2-4-13(20)5-3-12/h2-8H,9-10H2,1H3,(H,21,22,25)
InChIKeyQVLCXYIMUYVUQV-UHFFFAOYSA-N
XLogP2.35
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 46922595) is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)no1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is QVLCXYIMUYVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c1-11-8-15(22-28-11)21-16(25)10-23-14-6-7-29-17(14)18(26)24(19(23)27)9-12-2-4-13(20)5-3-12/h2-8H,9-10H2,1H3,(H,21,22,25).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 414.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 46922595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).