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

C20H24N6O3 — CID 91891889

IUPAC(2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cc(-c3nc(C(C)C)no3)nn2)CC1
InChIInChI=1S/C20H24N6O3/c1-13(2)18-21-19(29-23-18)16-12-26(24-22-16)14-8-10-25(11-9-14)20(27)15-6-4-5-7-17(15)28-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyFQPUYUOWYGDPTJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.94
Rot. Bonds5

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

(2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91891889) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91891889
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name(2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cc(-c3nc(C(C)C)no3)nn2)CC1
InChIInChI=1S/C20H24N6O3/c1-13(2)18-21-19(29-23-18)16-12-26(24-22-16)14-8-10-25(11-9-14)20(27)15-6-4-5-7-17(15)28-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyFQPUYUOWYGDPTJ-UHFFFAOYSA-N
XLogP2.94
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91891889) is (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(n2cc(-c3nc(C(C)C)no3)nn2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is FQPUYUOWYGDPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13(2)18-21-19(29-23-18)16-12-26(24-22-16)14-8-10-25(11-9-14)20(27)15-6-4-5-7-17(15)28-3/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 396.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91891889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).