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

C9H16N4O2 — CID 102790560

IUPAC5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCC(N)Cc1nc(C(=O)NC)no1
InChIInChI=1S/C9H16N4O2/c1-3-4-6(10)5-7-12-8(13-15-7)9(14)11-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyDKQHAJRMJICTMQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.10
Rot. Bonds5

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

5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790560) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790560
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCC(N)Cc1nc(C(=O)NC)no1
InChIInChI=1S/C9H16N4O2/c1-3-4-6(10)5-7-12-8(13-15-7)9(14)11-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyDKQHAJRMJICTMQ-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-2-cyclopropylethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790561
5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790410
5-[(1R)-1-amino-2-hydroxyethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790526
1-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114211184
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790618
5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124847174
5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790253
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350324
5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 138623161
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116740982
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790693

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 102790560) is 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide is CCCC(N)Cc1nc(C(=O)NC)no1.
What is the InChIKey of 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DKQHAJRMJICTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-4-6(10)5-7-12-8(13-15-7)9(14)11-2/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).