[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone

C20H19N3O2 — CID 720121

IUPAC[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCC1
InChIInChI=1S/C20H19N3O2/c24-20(23-13-5-2-6-14-23)17-11-9-16(10-12-17)19-22-21-18(25-19)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyABCFVODVDZZUQU-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.03
Rot. Bonds3

About [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone

[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone (PubChem CID 720121) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone
PubChem CID720121
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCC1
InChIInChI=1S/C20H19N3O2/c24-20(23-13-5-2-6-14-23)17-11-9-16(10-12-17)19-22-21-18(25-19)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyABCFVODVDZZUQU-UHFFFAOYSA-N
XLogP4.03
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
2,5-Bis((1,1'-biphenyl)-4-yl)-1,3,4-oxadiazole
CID 96840
N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10159882
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-{[3-(morpholin-4-ylmethyl)phenyl]methyl}benzamide
CID 25093466

Frequently Asked Questions

What is the IUPAC name of [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone (CID 720121) is [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCC1.
What is the InChIKey of [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is ABCFVODVDZZUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(23-13-5-2-6-14-23)17-11-9-16(10-12-17)19-22-21-18(25-19)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone?
[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 720121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).