azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone

C20H26N4O4S — CID 46393407

IUPACazepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1)N1CCCCCC1
InChIInChI=1S/C20H26N4O4S/c25-20(23-12-4-1-2-5-13-23)19-22-21-18(28-19)16-8-10-17(11-9-16)29(26,27)24-14-6-3-7-15-24/h8-11H,1-7,12-15H2
InChIKeyUWVQRNCDNJQLTE-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.93
Rot. Bonds4

About azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone

azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 46393407) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID46393407
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Nameazepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1)N1CCCCCC1
InChIInChI=1S/C20H26N4O4S/c25-20(23-12-4-1-2-5-13-23)19-22-21-18(28-19)16-8-10-17(11-9-16)29(26,27)24-14-6-3-7-15-24/h8-11H,1-7,12-15H2
InChIKeyUWVQRNCDNJQLTE-UHFFFAOYSA-N
XLogP2.93
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 50837253
ethyl 1-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-4-carboxylate
CID 50837293
N-cycloheptyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 46393391
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53031173
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
N-[(2S)-butan-2-yl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898468
pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 53011795
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
N-[[(2R)-oxolan-2-yl]methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898470
N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837228
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone (CID 46393407) is azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is UWVQRNCDNJQLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c25-20(23-12-4-1-2-5-13-23)19-22-21-18(28-19)16-8-10-17(11-9-16)29(26,27)24-14-6-3-7-15-24/h8-11H,1-7,12-15H2.
What are the key properties of azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 418.52 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 46393407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).