2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride

C9H10Cl2N4O2 — CID 118471286

IUPAC2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1coc(Cc2ncccn2)n1
InChIInChI=1S/C9H8N4O2.2ClH/c10-9(14)6-5-15-8(13-6)4-7-11-2-1-3-12-7;;/h1-3,5H,4H2,(H2,10,14);2*1H
InChIKeyPYGCSJGEDGMUCC-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.00
Rot. Bonds3

About 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride

2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride (PubChem CID 118471286) has the molecular formula C9H10Cl2N4O2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride
PubChem CID118471286
Molecular FormulaC9H10Cl2N4O2
Molecular Weight277.11 g/mol
Exact Mass276.02
IUPAC Name2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1coc(Cc2ncccn2)n1
InChIInChI=1S/C9H8N4O2.2ClH/c10-9(14)6-5-15-8(13-6)4-7-11-2-1-3-12-7;;/h1-3,5H,4H2,(H2,10,14);2*1H
InChIKeyPYGCSJGEDGMUCC-UHFFFAOYSA-N
XLogP1.00
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride (CID 118471286) is 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1coc(Cc2ncccn2)n1.
What is the InChIKey of 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The InChIKey is PYGCSJGEDGMUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2.2ClH/c10-9(14)6-5-15-8(13-6)4-7-11-2-1-3-12-7;;/h1-3,5H,4H2,(H2,10,14);2*1H.
What are the key properties of 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride?
2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride has a molecular weight of 277.11 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 118471286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).