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

C19H22N6O3 — CID 91908506

IUPAC(4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC(n3cc(-c4nc(C)no4)nn3)C2)cc1
InChIInChI=1S/C19H22N6O3/c1-3-27-16-8-6-14(7-9-16)19(26)24-10-4-5-15(11-24)25-12-17(21-23-25)18-20-13(2)22-28-18/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyCWBHOXFIJJKZLD-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.51
Rot. Bonds5

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

(4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91908506) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91908506
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name(4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC(n3cc(-c4nc(C)no4)nn3)C2)cc1
InChIInChI=1S/C19H22N6O3/c1-3-27-16-8-6-14(7-9-16)19(26)24-10-4-5-15(11-24)25-12-17(21-23-25)18-20-13(2)22-28-18/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyCWBHOXFIJJKZLD-UHFFFAOYSA-N
XLogP2.51
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91908506) is (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCCC(n3cc(-c4nc(C)no4)nn3)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is CWBHOXFIJJKZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-3-27-16-8-6-14(7-9-16)19(26)24-10-4-5-15(11-24)25-12-17(21-23-25)18-20-13(2)22-28-18/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 382.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91908506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).