N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide

C9H16N4O2 — CID 106397446

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O2/c1-7(2)11-5-8(14)10-4-3-9-12-6-13-15-9/h6-7,11H,3-5H2,1-2H3,(H,10,14)
InChIKeyWYRLQFXIZSLPPQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.27
Rot. Bonds6

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 106397446) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID106397446
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O2/c1-7(2)11-5-8(14)10-4-3-9-12-6-13-15-9/h6-7,11H,3-5H2,1-2H3,(H,10,14)
InChIKeyWYRLQFXIZSLPPQ-UHFFFAOYSA-N
XLogP-0.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide (CID 106397446) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is WYRLQFXIZSLPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(2)11-5-8(14)10-4-3-9-12-6-13-15-9/h6-7,11H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 106397446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).