azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone

C15H17N3O2 — CID 8869673

IUPACazepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnco2)cc1)N1CCCCCC1
InChIInChI=1S/C15H17N3O2/c19-15(18-9-3-1-2-4-10-18)13-7-5-12(6-8-13)14-17-16-11-20-14/h5-8,11H,1-4,9-10H2
InChIKeyKIQBYGJTIHQXSS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds2

About azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone

azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone (PubChem CID 8869673) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
PubChem CID8869673
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameazepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnco2)cc1)N1CCCCCC1
InChIInChI=1S/C15H17N3O2/c19-15(18-9-3-1-2-4-10-18)13-7-5-12(6-8-13)14-17-16-11-20-14/h5-8,11H,1-4,9-10H2
InChIKeyKIQBYGJTIHQXSS-UHFFFAOYSA-N
XLogP2.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63030571
(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 9071302
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(1,3,4-oxadiazol-2-yl)benzoate
CID 8999432
1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43355554
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825
[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 9092492
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 50849559
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The IUPAC name of azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone (CID 8869673) is azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2nnco2)cc1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The InChIKey is KIQBYGJTIHQXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(18-9-3-1-2-4-10-18)13-7-5-12(6-8-13)14-17-16-11-20-14/h5-8,11H,1-4,9-10H2.
What are the key properties of azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone has a molecular weight of 271.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 8869673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).