(4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

C19H21N5O4 — CID 24794117

IUPAC(4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCOC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1
InChIInChI=1S/C19H21N5O4/c1-26-15-6-8-23(9-7-15)19(25)18-10-17(28-22-18)11-27-16-4-2-14(3-5-16)24-13-20-12-21-24/h2-5,10,12-13,15H,6-9,11H2,1H3
InChIKeyJSHKRODDCNKZAJ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.09
Rot. Bonds6

About (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

(4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24794117) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
PubChem CID24794117
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name(4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCOC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1
InChIInChI=1S/C19H21N5O4/c1-26-15-6-8-23(9-7-15)19(25)18-10-17(28-22-18)11-27-16-4-2-14(3-5-16)24-13-20-12-21-24/h2-5,10,12-13,15H,6-9,11H2,1H3
InChIKeyJSHKRODDCNKZAJ-UHFFFAOYSA-N
XLogP2.09
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (CID 24794117) is (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is COC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is JSHKRODDCNKZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-15-6-8-23(9-7-15)19(25)18-10-17(28-22-18)11-27-16-4-2-14(3-5-16)24-13-20-12-21-24/h2-5,10,12-13,15H,6-9,11H2,1H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
(4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 383.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24794117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).