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

C20H19N3O2 — CID 92897703

IUPACphenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H19N3O2/c24-20(16-10-5-2-6-11-16)23-13-7-12-17(14-23)19-22-21-18(25-19)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1
InChIKeyAXLRBSOQBACIAI-KRWDZBQOSA-N
MW333.39 g/mol
LogP3.76
Rot. Bonds3

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

phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 92897703) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID92897703
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namephenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H19N3O2/c24-20(16-10-5-2-6-11-16)23-13-7-12-17(14-23)19-22-21-18(25-19)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1
InChIKeyAXLRBSOQBACIAI-KRWDZBQOSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 46392997
[4-(dimethylamino)phenyl]-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 50835044
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
(4-phenylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068824
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 71654170
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
1H-indol-2-yl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93062533
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75615733

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 92897703) is phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is AXLRBSOQBACIAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(16-10-5-2-6-11-16)23-13-7-12-17(14-23)19-22-21-18(25-19)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1.
What are the key properties of phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92897703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).