5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

C9H16N4O2 — CID 102790410

IUPAC5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NC)no1
InChIInChI=1S/C9H16N4O2/c1-3-4-5-6(10)9-12-7(13-15-9)8(14)11-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyQTJNQSFZYWGCMR-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.62
Rot. Bonds5

About 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790410) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790410
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NC)no1
InChIInChI=1S/C9H16N4O2/c1-3-4-5-6(10)9-12-7(13-15-9)8(14)11-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyQTJNQSFZYWGCMR-UHFFFAOYSA-N
XLogP0.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 102790410) is 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide is CCCCC(N)c1nc(C(=O)NC)no1.
What is the InChIKey of 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QTJNQSFZYWGCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-4-5-6(10)9-12-7(13-15-9)8(14)11-2/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).