N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide

C18H23N3O2 — CID 91917666

IUPACN-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c22-17(12-14-8-4-5-9-14)19-11-10-16-20-18(23-21-16)13-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,22)
InChIKeyKTVULIHKMSKYLB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.90
Rot. Bonds7

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

N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide (PubChem CID 91917666) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide
PubChem CID91917666
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c22-17(12-14-8-4-5-9-14)19-11-10-16-20-18(23-21-16)13-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,22)
InChIKeyKTVULIHKMSKYLB-UHFFFAOYSA-N
XLogP2.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide (CID 91917666) is N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCCc1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide?
The InChIKey is KTVULIHKMSKYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(12-14-8-4-5-9-14)19-11-10-16-20-18(23-21-16)13-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,22).
What are the key properties of N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide?
N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 91917666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).