[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone

C16H20N4O2 — CID 97345421

IUPAC[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)n1
InChIInChI=1S/C16H20N4O2/c1-11-7-6-8-13(17-11)16(21)20-10-5-3-4-9-14(20)15-18-12(2)22-19-15/h6-8,14H,3-5,9-10H2,1-2H3/t14-/m0/s1
InChIKeyOZONGCDENCJOEY-AWEZNQCLSA-N
MW300.36 g/mol
LogP2.84
Rot. Bonds2

About [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone

[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 97345421) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID97345421
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)n1
InChIInChI=1S/C16H20N4O2/c1-11-7-6-8-13(17-11)16(21)20-10-5-3-4-9-14(20)15-18-12(2)22-19-15/h6-8,14H,3-5,9-10H2,1-2H3/t14-/m0/s1
InChIKeyOZONGCDENCJOEY-AWEZNQCLSA-N
XLogP2.84
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

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Related Compounds

[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 75475016
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
(2R)-N-(2,6-dimethylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343637
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
(2R)-N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343554
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methylphenyl)azepane-1-carboxamide
CID 75473868
[6-(dimethylamino)-3-pyridinyl]-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345379
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124974608
2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 75475009

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 97345421) is [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)n1.
What is the InChIKey of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is OZONGCDENCJOEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-7-6-8-13(17-11)16(21)20-10-5-3-4-9-14(20)15-18-12(2)22-19-15/h6-8,14H,3-5,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 97345421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).