N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide

C13H21N3O2 — CID 50755033

IUPACN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide
SMILESCC(C)Cc1nc(CNC(=O)C2CCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)7-12-15-11(16-18-12)8-14-13(17)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyDJACKKJLJZZZMK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.07
Rot. Bonds5

About N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide (PubChem CID 50755033) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide
PubChem CID50755033
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide
SMILESCC(C)Cc1nc(CNC(=O)C2CCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)7-12-15-11(16-18-12)8-14-13(17)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyDJACKKJLJZZZMK-UHFFFAOYSA-N
XLogP2.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide (CID 50755033) is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide is CC(C)Cc1nc(CNC(=O)C2CCCC2)no1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide?
The InChIKey is DJACKKJLJZZZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)7-12-15-11(16-18-12)8-14-13(17)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide?
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 50755033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).