4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide

C15H20N4O2 — CID 47029635

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCc2ccccn2)n1
InChIInChI=1S/C15H20N4O2/c1-11(2)15-18-14(21-19-15)8-5-7-13(20)17-10-12-6-3-4-9-16-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,17,20)
InChIKeyKWGQMKSLQUFQNM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.23
Rot. Bonds7

About 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 47029635) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID47029635
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCc2ccccn2)n1
InChIInChI=1S/C15H20N4O2/c1-11(2)15-18-14(21-19-15)8-5-7-13(20)17-10-12-6-3-4-9-16-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,17,20)
InChIKeyKWGQMKSLQUFQNM-UHFFFAOYSA-N
XLogP2.23
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-methyl-N-propan-2-yl-4-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]benzamide
CID 55760328
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111566233
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080867
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 94112899
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide (CID 47029635) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide is CC(C)c1noc(CCCC(=O)NCc2ccccn2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is KWGQMKSLQUFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)15-18-14(21-19-15)8-5-7-13(20)17-10-12-6-3-4-9-16-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,17,20).
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 288.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 47029635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).