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

C18H20N6O3 — CID 91892123

IUPAC(2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(n2cc(-c3noc(C)n3)nn2)C1
InChIInChI=1S/C18H20N6O3/c1-12-19-17(21-27-12)15-11-24(22-20-15)13-6-5-9-23(10-13)18(25)14-7-3-4-8-16(14)26-2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyJQDQKLOJSHLHGM-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.12
Rot. Bonds4

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

(2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91892123) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91892123
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name(2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC(n2cc(-c3noc(C)n3)nn2)C1
InChIInChI=1S/C18H20N6O3/c1-12-19-17(21-27-12)15-11-24(22-20-15)13-6-5-9-23(10-13)18(25)14-7-3-4-8-16(14)26-2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyJQDQKLOJSHLHGM-UHFFFAOYSA-N
XLogP2.12
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91892123) is (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCCC(n2cc(-c3noc(C)n3)nn2)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is JQDQKLOJSHLHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-12-19-17(21-27-12)15-11-24(22-20-15)13-6-5-9-23(10-13)18(25)14-7-3-4-8-16(14)26-2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
(2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 368.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91892123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).