[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone

C17H22N4O2 — CID 97345487

IUPAC[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccccn2)no1
InChIInChI=1S/C17H22N4O2/c1-12(2)16-19-15(20-23-16)14-9-4-3-7-11-21(14)17(22)13-8-5-6-10-18-13/h5-6,8,10,12,14H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
InChIKeyRZORQVBXDAPWIA-CQSZACIVSA-N
MW314.39 g/mol
LogP3.35
Rot. Bonds3

About [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone

[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone (PubChem CID 97345487) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
PubChem CID97345487
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccccn2)no1
InChIInChI=1S/C17H22N4O2/c1-12(2)16-19-15(20-23-16)14-9-4-3-7-11-21(14)17(22)13-8-5-6-10-18-13/h5-6,8,10,12,14H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
InChIKeyRZORQVBXDAPWIA-CQSZACIVSA-N
XLogP3.35
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 164628420
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345489
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 97345421
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
CID 166235513
1H-imidazol-5-yl-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779553
2-(4-acetyltriazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136546047
2-(1H-indol-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779559
pyridin-2-yl-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methanone
CID 110219878
(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 154759964

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone (CID 97345487) is [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone is CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccccn2)no1.
What is the InChIKey of [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone?
The InChIKey is RZORQVBXDAPWIA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)16-19-15(20-23-16)14-9-4-3-7-11-21(14)17(22)13-8-5-6-10-18-13/h5-6,8,10,12,14H,3-4,7,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone?
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97345487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).