2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide

C12H14N4O3 — CID 71795747

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2c(C)noc2C)ncn1
InChIInChI=1S/C12H14N4O3/c1-7-9(8(2)19-16-7)4-11(17)15-10-5-12(18-3)14-6-13-10/h5-6H,4H2,1-3H3,(H,13,14,15,17)
InChIKeyBGWDTGXAOXQYTK-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.27
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide (PubChem CID 71795747) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide
PubChem CID71795747
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2c(C)noc2C)ncn1
InChIInChI=1S/C12H14N4O3/c1-7-9(8(2)19-16-7)4-11(17)15-10-5-12(18-3)14-6-13-10/h5-6H,4H2,1-3H3,(H,13,14,15,17)
InChIKeyBGWDTGXAOXQYTK-UHFFFAOYSA-N
XLogP1.27
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide (CID 71795747) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide is COc1cc(NC(=O)Cc2c(C)noc2C)ncn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide?
The InChIKey is BGWDTGXAOXQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-9(8(2)19-16-7)4-11(17)15-10-5-12(18-3)14-6-13-10/h5-6H,4H2,1-3H3,(H,13,14,15,17).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 71795747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).