N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide

C11H18N4O2 — CID 91650313

IUPACN,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
SMILESCN(C)C(=O)N1CCCCCC1c1ncon1
InChIInChI=1S/C11H18N4O2/c1-14(2)11(16)15-7-5-3-4-6-9(15)10-12-8-17-13-10/h8-9H,3-7H2,1-2H3
InChIKeyDNLWETXECVHYOZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.67
Rot. Bonds1

About N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide

N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide (PubChem CID 91650313) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
PubChem CID91650313
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
SMILESCN(C)C(=O)N1CCCCCC1c1ncon1
InChIInChI=1S/C11H18N4O2/c1-14(2)11(16)15-7-5-3-4-6-9(15)10-12-8-17-13-10/h8-9H,3-7H2,1-2H3
InChIKeyDNLWETXECVHYOZ-UHFFFAOYSA-N
XLogP1.67
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 125142071
3-cyclopropyl-3-methyl-1-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]butan-1-one
CID 129344872
2-(1-methylcyclohexyl)-1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 127649525
[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 167948922
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
(2S)-2-(5-tert-butyltetrazol-1-yl)-1-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]propan-1-one
CID 125138327
[1-(2-methylpropyl)pyrazol-4-yl]-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806178
(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828512
[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 99828297
(3-methylbenzotriazol-5-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806177

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide (CID 91650313) is N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide is CN(C)C(=O)N1CCCCCC1c1ncon1.
What is the InChIKey of N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
The InChIKey is DNLWETXECVHYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(2)11(16)15-7-5-3-4-6-9(15)10-12-8-17-13-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide?
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide is sourced from PubChem (CID 91650313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).