[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine

C9H16N4O — CID 83618709

IUPAC[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(N2CCCCCC2)no1
InChIInChI=1S/C9H16N4O/c10-7-8-11-9(12-14-8)13-5-3-1-2-4-6-13/h1-7,10H2
InChIKeyJYQFSHVPAMPMKV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.91
Rot. Bonds2

About [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 83618709) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID83618709
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(N2CCCCCC2)no1
InChIInChI=1S/C9H16N4O/c10-7-8-11-9(12-14-8)13-5-3-1-2-4-6-13/h1-7,10H2
InChIKeyJYQFSHVPAMPMKV-UHFFFAOYSA-N
XLogP0.91
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 116806808
1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 116806939
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106527584
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116806750
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116809007
2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 106483235

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 83618709) is [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(N2CCCCCC2)no1.
What is the InChIKey of [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is JYQFSHVPAMPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-7-8-11-9(12-14-8)13-5-3-1-2-4-6-13/h1-7,10H2.
What are the key properties of [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 83618709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).