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

C22H20N6O2 — CID 53318036

IUPACphenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1
InChIInChI=1S/C22H20N6O2/c29-22(17-9-5-2-6-10-17)27-13-11-18(12-14-27)28-15-19(23-26-28)21-25-24-20(30-21)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2
InChIKeyBNMWJOVCZVHHQR-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.47
Rot. Bonds4

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

phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 53318036) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID53318036
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Namephenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1
InChIInChI=1S/C22H20N6O2/c29-22(17-9-5-2-6-10-17)27-13-11-18(12-14-27)28-15-19(23-26-28)21-25-24-20(30-21)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2
InChIKeyBNMWJOVCZVHHQR-UHFFFAOYSA-N
XLogP3.47
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 53318036) is phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1.
What is the InChIKey of phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is BNMWJOVCZVHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-22(17-9-5-2-6-10-17)27-13-11-18(12-14-27)28-15-19(23-26-28)21-25-24-20(30-21)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2.
What are the key properties of phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 400.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53318036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).