N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane

C15H24N6O2 — CID 142574902

IUPACN-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane
SMILESCC.CC(=O)NC(CCCCN)c1nnc(-c2ccncn2)o1
InChIInChI=1S/C13H18N6O2.C2H6/c1-9(20)17-11(4-2-3-6-14)13-19-18-12(21-13)10-5-7-15-8-16-10;1-2/h5,7-8,11H,2-4,6,14H2,1H3,(H,17,20);1-2H3
InChIKeyAYXVSVIOIFLGQX-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.86
Rot. Bonds7

About N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane

N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane (PubChem CID 142574902) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane.

Molecular Properties

Compound NameN-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane
PubChem CID142574902
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC NameN-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane
SMILESCC.CC(=O)NC(CCCCN)c1nnc(-c2ccncn2)o1
InChIInChI=1S/C13H18N6O2.C2H6/c1-9(20)17-11(4-2-3-6-14)13-19-18-12(21-13)10-5-7-15-8-16-10;1-2/h5,7-8,11H,2-4,6,14H2,1H3,(H,17,20);1-2H3
InChIKeyAYXVSVIOIFLGQX-UHFFFAOYSA-N
XLogP1.86
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane?
The IUPAC name of N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane (CID 142574902) is N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane.
What is the SMILES notation for N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane?
The canonical SMILES for N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane is CC.CC(=O)NC(CCCCN)c1nnc(-c2ccncn2)o1.
What is the InChIKey of N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane?
The InChIKey is AYXVSVIOIFLGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2.C2H6/c1-9(20)17-11(4-2-3-6-14)13-19-18-12(21-13)10-5-7-15-8-16-10;1-2/h5,7-8,11H,2-4,6,14H2,1H3,(H,17,20);1-2H3.
What are the key properties of N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane?
N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane has a molecular weight of 320.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)pentyl]acetamide;ethane is sourced from PubChem (CID 142574902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).