N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C19H16N4O3S — CID 2125074

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)no1
InChIInChI=1S/C19H16N4O3S/c1-11-8-14(22-26-11)21-15(24)9-23-10-20-18-17(19(23)25)16(12(2)27-18)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,21,22,24)
InChIKeyVNYQCTBDCCVGPW-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.37
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 2125074) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID2125074
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)no1
InChIInChI=1S/C19H16N4O3S/c1-11-8-14(22-26-11)21-15(24)9-23-10-20-18-17(19(23)25)16(12(2)27-18)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,21,22,24)
InChIKeyVNYQCTBDCCVGPW-UHFFFAOYSA-N
XLogP3.37
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 2125074) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is VNYQCTBDCCVGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-11-8-14(22-26-11)21-15(24)9-23-10-20-18-17(19(23)25)16(12(2)27-18)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,21,22,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 2125074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).