3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride

C10H17ClN4O2 — CID 126790568

IUPAC3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride
SMILESCc1noc(CN2CCCCC(N)C2=O)n1.Cl
InChIInChI=1S/C10H16N4O2.ClH/c1-7-12-9(16-13-7)6-14-5-3-2-4-8(11)10(14)15;/h8H,2-6,11H2,1H3;1H
InChIKeyZCUIKSKRJURVSC-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.64
Rot. Bonds2

About 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride

3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride (PubChem CID 126790568) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride
PubChem CID126790568
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride
SMILESCc1noc(CN2CCCCC(N)C2=O)n1.Cl
InChIInChI=1S/C10H16N4O2.ClH/c1-7-12-9(16-13-7)6-14-5-3-2-4-8(11)10(14)15;/h8H,2-6,11H2,1H3;1H
InChIKeyZCUIKSKRJURVSC-UHFFFAOYSA-N
XLogP0.64
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 86775555
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338091
2-(3-Methyl-1,2,4-oxadiazol-5-YL)-N-(2-methylpropyl)azepane-1-carboxamide
CID 110196405
N-ethyl-N-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)azepan-4-amine dihydrochloride
CID 86775673
N-methyl-5-[(1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72926386
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196407
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide
CID 110196417
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-oxoazepan-3-yl)butanamide
CID 45823507
N~1~-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N~1~-methyl-D-leucinamide
CID 56877959
N-(2-{[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino}-2-oxoethyl)propanamide
CID 91833324
N~1~-cycloheptyl-N~2~-methyl-N~2~-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]glycinamide
CID 91834546
2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
CID 97344750

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride?
The IUPAC name of 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride (CID 126790568) is 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride?
The canonical SMILES for 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride is Cc1noc(CN2CCCCC(N)C2=O)n1.Cl.
What is the InChIKey of 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride?
The InChIKey is ZCUIKSKRJURVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2.ClH/c1-7-12-9(16-13-7)6-14-5-3-2-4-8(11)10(14)15;/h8H,2-6,11H2,1H3;1H.
What are the key properties of 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride?
3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one;hydrochloride is sourced from PubChem (CID 126790568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).