N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C16H26N4O2 — CID 119458881

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NC2CC3CCC(C2)N3)n1
InChIInChI=1S/C16H26N4O2/c1-2-4-14-19-16(22-20-14)6-3-5-15(21)18-13-9-11-7-8-12(10-13)17-11/h11-13,17H,2-10H2,1H3,(H,18,21)
InChIKeyIBWHASLNPVXFRS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.74
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 119458881) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID119458881
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NC2CC3CCC(C2)N3)n1
InChIInChI=1S/C16H26N4O2/c1-2-4-14-19-16(22-20-14)6-3-5-15(21)18-13-9-11-7-8-12(10-13)17-11/h11-13,17H,2-10H2,1H3,(H,18,21)
InChIKeyIBWHASLNPVXFRS-UHFFFAOYSA-N
XLogP1.74
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 119458881) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)NC2CC3CCC(C2)N3)n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is IBWHASLNPVXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-4-14-19-16(22-20-14)6-3-5-15(21)18-13-9-11-7-8-12(10-13)17-11/h11-13,17H,2-10H2,1H3,(H,18,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 119458881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).