N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine

C9H16N4O — CID 107173618

IUPACN-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CCCNCC2)n1
InChIInChI=1S/C9H16N4O/c1-7-11-9(14-13-7)12-8-3-2-5-10-6-4-8/h8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyOGQXGHSKYDPYCA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds2

About N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine

N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 107173618) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID107173618
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CCCNCC2)n1
InChIInChI=1S/C9H16N4O/c1-7-11-9(14-13-7)12-8-3-2-5-10-6-4-8/h8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyOGQXGHSKYDPYCA-UHFFFAOYSA-N
XLogP0.93
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659849
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
3-methyl-N-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 106659651
3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-oxadiazol-5-amine
CID 106659795
3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 102677324
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
CID 104874178
N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659872
3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833998
4-methyl-N-piperidin-4-yl-[1,3]oxazolo[5,4-c]pyridin-2-amine
CID 66912234
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine (CID 107173618) is N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NC2CCCNCC2)n1.
What is the InChIKey of N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is OGQXGHSKYDPYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-11-9(14-13-7)12-8-3-2-5-10-6-4-8/h8,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 196.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 107173618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).