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

C23H22N6O3 — CID 91892055

IUPAC(2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1
InChIInChI=1S/C23H22N6O3/c1-31-20-10-6-5-9-18(20)23(30)28-13-11-17(12-14-28)29-15-19(25-27-29)22-24-21(26-32-22)16-7-3-2-4-8-16/h2-10,15,17H,11-14H2,1H3
InChIKeyIGFSCKWXVHGBIN-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.48
Rot. Bonds5

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

(2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91892055) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91892055
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name(2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1
InChIInChI=1S/C23H22N6O3/c1-31-20-10-6-5-9-18(20)23(30)28-13-11-17(12-14-28)29-15-19(25-27-29)22-24-21(26-32-22)16-7-3-2-4-8-16/h2-10,15,17H,11-14H2,1H3
InChIKeyIGFSCKWXVHGBIN-UHFFFAOYSA-N
XLogP3.48
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.48
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-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91892055) is (2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is IGFSCKWXVHGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-31-20-10-6-5-9-18(20)23(30)28-13-11-17(12-14-28)29-15-19(25-27-29)22-24-21(26-32-22)16-7-3-2-4-8-16/h2-10,15,17H,11-14H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 430.47 g/mol, XLogP of 3.48, 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-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91892055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).