N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C11H8N4O3S — CID 146131718

IUPACN-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1cnoc1
InChIInChI=1S/C11H8N4O3S/c16-9(14-7-3-13-18-5-7)4-15-6-12-10-8(11(15)17)1-2-19-10/h1-3,5-6H,4H2,(H,14,16)
InChIKeyOCSMDFXILAPYPI-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.08
Rot. Bonds3

About N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 146131718) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID146131718
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC NameN-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1cnoc1
InChIInChI=1S/C11H8N4O3S/c16-9(14-7-3-13-18-5-7)4-15-6-12-10-8(11(15)17)1-2-19-10/h1-3,5-6H,4H2,(H,14,16)
InChIKeyOCSMDFXILAPYPI-UHFFFAOYSA-N
XLogP1.08
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 146131718) is N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)Nc1cnoc1.
What is the InChIKey of N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is OCSMDFXILAPYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c16-9(14-7-3-13-18-5-7)4-15-6-12-10-8(11(15)17)1-2-19-10/h1-3,5-6H,4H2,(H,14,16).
What are the key properties of N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 276.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 146131718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).