5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

C10H18N4O2 — CID 138623161

IUPAC5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCCC(CC)NCc1nc(C(N)=O)no1
InChIInChI=1S/C10H18N4O2/c1-3-5-7(4-2)12-6-8-13-10(9(11)15)14-16-8/h7,12H,3-6H2,1-2H3,(H2,11,15)
InChIKeyVTMLUJRXYPTUMU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.84
Rot. Bonds7

About 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 138623161) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID138623161
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCCC(CC)NCc1nc(C(N)=O)no1
InChIInChI=1S/C10H18N4O2/c1-3-5-7(4-2)12-6-8-13-10(9(11)15)14-16-8/h7,12H,3-6H2,1-2H3,(H2,11,15)
InChIKeyVTMLUJRXYPTUMU-UHFFFAOYSA-N
XLogP0.84
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 86775555
N-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 29893179
N-(2-methoxyethyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 47022638
N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 47084602
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 25220847
3-Amino-1-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)azepan-2-one hydrochloride
CID 126790568
Butyl((3-methyl-1,2,4-oxadiazol-5-yl)methyl)amine hydrochloride
CID 155822155
2-[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propan-2-ylacetamide
CID 45805664
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 45822516

Frequently Asked Questions

What is the IUPAC name of 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 138623161) is 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is CCCC(CC)NCc1nc(C(N)=O)no1.
What is the InChIKey of 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VTMLUJRXYPTUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-5-7(4-2)12-6-8-13-10(9(11)15)14-16-8/h7,12H,3-6H2,1-2H3,(H2,11,15).
What are the key properties of 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 138623161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).