N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C16H23N7O2 — CID 72884894

IUPACN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCc1nc(CCNC(=O)CN2CCN(c3ncccn3)CC2)no1
InChIInChI=1S/C16H23N7O2/c1-2-15-20-13(21-25-15)4-7-17-14(24)12-22-8-10-23(11-9-22)16-18-5-3-6-19-16/h3,5-6H,2,4,7-12H2,1H3,(H,17,24)
InChIKeyAYMNFQCZMWRFCD-UHFFFAOYSA-N
MW345.41 g/mol
LogP-0.10
Rot. Bonds7

About N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 72884894) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID72884894
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCc1nc(CCNC(=O)CN2CCN(c3ncccn3)CC2)no1
InChIInChI=1S/C16H23N7O2/c1-2-15-20-13(21-25-15)4-7-17-14(24)12-22-8-10-23(11-9-22)16-18-5-3-6-19-16/h3,5-6H,2,4,7-12H2,1H3,(H,17,24)
InChIKeyAYMNFQCZMWRFCD-UHFFFAOYSA-N
XLogP-0.10
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 72884894) is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCc1nc(CCNC(=O)CN2CCN(c3ncccn3)CC2)no1.
What is the InChIKey of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is AYMNFQCZMWRFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-2-15-20-13(21-25-15)4-7-17-14(24)12-22-8-10-23(11-9-22)16-18-5-3-6-19-16/h3,5-6H,2,4,7-12H2,1H3,(H,17,24).
What are the key properties of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 345.41 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 72884894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).