N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide

C20H19N5O3 — CID 56723626

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1coc(COc2cccc3cnccc23)n1
InChIInChI=1S/C20H19N5O3/c1-12-16(13(2)25-24-12)9-22-20(26)17-10-28-19(23-17)11-27-18-5-3-4-14-8-21-7-6-15(14)18/h3-8,10H,9,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyCSVAYNQZEYZNMC-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.07
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 56723626) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID56723626
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1coc(COc2cccc3cnccc23)n1
InChIInChI=1S/C20H19N5O3/c1-12-16(13(2)25-24-12)9-22-20(26)17-10-28-19(23-17)11-27-18-5-3-4-14-8-21-7-6-15(14)18/h3-8,10H,9,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyCSVAYNQZEYZNMC-UHFFFAOYSA-N
XLogP3.07
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-(isoquinolin-5-yloxymethyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 42288089
N-[(3R)-3-hydroxybutyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95189225
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455
N-[(2S)-butan-2-yl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 26405987
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95388525
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56705364
N-benzyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 25482555
5-(isoquinolin-5-yloxymethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56714182
N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42516268
N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 26391353
2-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205769
[2-(isoquinolin-5-yloxymethyl)-1,3-oxazol-4-yl]-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56706479

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 56723626) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide is Cc1n[nH]c(C)c1CNC(=O)c1coc(COc2cccc3cnccc23)n1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CSVAYNQZEYZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-16(13(2)25-24-12)9-22-20(26)17-10-28-19(23-17)11-27-18-5-3-4-14-8-21-7-6-15(14)18/h3-8,10H,9,11H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56723626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).