5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide

C11H14N6O3 — CID 124843027

IUPAC5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC[C@@H](C(=O)NCc1nc(C(N)=O)no1)n1cccn1
InChIInChI=1S/C11H14N6O3/c1-2-7(17-5-3-4-14-17)11(19)13-6-8-15-10(9(12)18)16-20-8/h3-5,7H,2,6H2,1H3,(H2,12,18)(H,13,19)/t7-/m0/s1
InChIKeyDASJSOHYUVXQHE-ZETCQYMHSA-N
MW278.27 g/mol
LogP-0.37
Rot. Bonds6

About 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 124843027) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID124843027
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC[C@@H](C(=O)NCc1nc(C(N)=O)no1)n1cccn1
InChIInChI=1S/C11H14N6O3/c1-2-7(17-5-3-4-14-17)11(19)13-6-8-15-10(9(12)18)16-20-8/h3-5,7H,2,6H2,1H3,(H2,12,18)(H,13,19)/t7-/m0/s1
InChIKeyDASJSOHYUVXQHE-ZETCQYMHSA-N
XLogP-0.37
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 124843027) is 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is CC[C@@H](C(=O)NCc1nc(C(N)=O)no1)n1cccn1.
What is the InChIKey of 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DASJSOHYUVXQHE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-2-7(17-5-3-4-14-17)11(19)13-6-8-15-10(9(12)18)16-20-8/h3-5,7H,2,6H2,1H3,(H2,12,18)(H,13,19)/t7-/m0/s1.
What are the key properties of 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 124843027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).