N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide

C21H23N3O3 — CID 26391353

IUPACN-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1coc(COc2cccc3cnccc23)n1)C1CCCCC1
InChIInChI=1S/C21H23N3O3/c1-24(16-7-3-2-4-8-16)21(25)18-13-27-20(23-18)14-26-19-9-5-6-15-12-22-11-10-17(15)19/h5-6,9-13,16H,2-4,7-8,14H2,1H3
InChIKeyMJRNGLXBKQRICV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.21
Rot. Bonds5

About N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide

N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 26391353) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID26391353
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1coc(COc2cccc3cnccc23)n1)C1CCCCC1
InChIInChI=1S/C21H23N3O3/c1-24(16-7-3-2-4-8-16)21(25)18-13-27-20(23-18)14-26-19-9-5-6-15-12-22-11-10-17(15)19/h5-6,9-13,16H,2-4,7-8,14H2,1H3
InChIKeyMJRNGLXBKQRICV-UHFFFAOYSA-N
XLogP4.21
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 25482555
2-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205769
N-cyclohexyl-2-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 26404586
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
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[2-(isoquinolin-5-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56709517
N-[(2S)-butan-2-yl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 26405987
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95388525
[2-(isoquinolin-5-yloxymethyl)-1,3-oxazol-4-yl]-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56706479
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56723626
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56705364

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide (CID 26391353) is N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide is CN(C(=O)c1coc(COc2cccc3cnccc23)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is MJRNGLXBKQRICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24(16-7-3-2-4-8-16)21(25)18-13-27-20(23-18)14-26-19-9-5-6-15-12-22-11-10-17(15)19/h5-6,9-13,16H,2-4,7-8,14H2,1H3.
What are the key properties of N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 26391353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).