N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide

C11H20N4O2 — CID 106397639

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCc1ncon1
InChIInChI=1S/C11H20N4O2/c1-9(2)12-6-3-4-11(16)13-7-5-10-14-8-17-15-10/h8-9,12H,3-7H2,1-2H3,(H,13,16)
InChIKeyOQOLVJYSHMRVHR-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.51
Rot. Bonds8

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 106397639) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID106397639
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCc1ncon1
InChIInChI=1S/C11H20N4O2/c1-9(2)12-6-3-4-11(16)13-7-5-10-14-8-17-15-10/h8-9,12H,3-7H2,1-2H3,(H,13,16)
InChIKeyOQOLVJYSHMRVHR-UHFFFAOYSA-N
XLogP0.51
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide (CID 106397639) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCCc1ncon1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is OQOLVJYSHMRVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(2)12-6-3-4-11(16)13-7-5-10-14-8-17-15-10/h8-9,12H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 240.31 g/mol, XLogP of 0.51, 8 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-3-yl)ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 106397639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).