N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H16N4O3S — CID 38861918

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2cnc3sccc3c2=O)on1
InChIInChI=1S/C15H16N4O3S/c1-15(2,3)10-6-12(22-18-10)17-11(20)7-19-8-16-13-9(14(19)21)4-5-23-13/h4-6,8H,7H2,1-3H3,(H,17,20)
InChIKeyWDWNDLNGWUWRRX-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.38
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 38861918) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID38861918
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2cnc3sccc3c2=O)on1
InChIInChI=1S/C15H16N4O3S/c1-15(2,3)10-6-12(22-18-10)17-11(20)7-19-8-16-13-9(14(19)21)4-5-23-13/h4-6,8H,7H2,1-3H3,(H,17,20)
InChIKeyWDWNDLNGWUWRRX-UHFFFAOYSA-N
XLogP2.38
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 38847802
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 80749574
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)acetamide
CID 138051400
(2S)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid
CID 107564302
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 155969947
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40898847
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 38861918) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cn2cnc3sccc3c2=O)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WDWNDLNGWUWRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-15(2,3)10-6-12(22-18-10)17-11(20)7-19-8-16-13-9(14(19)21)4-5-23-13/h4-6,8H,7H2,1-3H3,(H,17,20).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 332.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 38861918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).