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

C16H19N3O2 — CID 100692660

IUPACN-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1noc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H19N3O2/c1-12(20)17-11-8-14-18-15(21-19-14)16(9-5-10-16)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H,17,20)
InChIKeyAGNIISLALGGGCZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.22
Rot. Bonds5

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

N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 100692660) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID100692660
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1noc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H19N3O2/c1-12(20)17-11-8-14-18-15(21-19-14)16(9-5-10-16)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H,17,20)
InChIKeyAGNIISLALGGGCZ-UHFFFAOYSA-N
XLogP2.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 100692660) is N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is CC(=O)NCCc1noc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is AGNIISLALGGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)17-11-8-14-18-15(21-19-14)16(9-5-10-16)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H,17,20).
What are the key properties of N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 100692660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).