4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide

C11H16N6O2 — CID 47255836

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ncn[nH]2)n1
InChIInChI=1S/C11H16N6O2/c1-7(2)10-15-9(19-17-10)5-3-4-8(18)14-11-12-6-13-16-11/h6-7H,3-5H2,1-2H3,(H2,12,13,14,16,18)
InChIKeyIYQGPVWRPALJNK-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.27
Rot. Bonds6

About 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 47255836) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID47255836
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ncn[nH]2)n1
InChIInChI=1S/C11H16N6O2/c1-7(2)10-15-9(19-17-10)5-3-4-8(18)14-11-12-6-13-16-11/h6-7H,3-5H2,1-2H3,(H2,12,13,14,16,18)
InChIKeyIYQGPVWRPALJNK-UHFFFAOYSA-N
XLogP1.27
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55664148
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
N-[(R)-(4-fluorophenyl)-phenylmethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51956080
2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid
CID 120697646
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56536259

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 47255836) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)Nc2ncn[nH]2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is IYQGPVWRPALJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-7(2)10-15-9(19-17-10)5-3-4-8(18)14-11-12-6-13-16-11/h6-7H,3-5H2,1-2H3,(H2,12,13,14,16,18).
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 264.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 47255836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).