N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide

C20H19N5O2 — CID 138585619

IUPACN-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)co1
InChIInChI=1S/C20H19N5O2/c1-12(2)20-23-16(10-27-20)19(26)24-18-7-15-6-13(4-5-14(15)8-22-18)17-9-21-11-25(17)3/h4-12H,1-3H3,(H,22,24,26)
InChIKeyGFZJGSLJTAMGNG-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.00
Rot. Bonds4

About N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide

N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 138585619) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID138585619
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)co1
InChIInChI=1S/C20H19N5O2/c1-12(2)20-23-16(10-27-20)19(26)24-18-7-15-6-13(4-5-14(15)8-22-18)17-9-21-11-25(17)3/h4-12H,1-3H3,(H,22,24,26)
InChIKeyGFZJGSLJTAMGNG-UHFFFAOYSA-N
XLogP4.00
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-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

US10899753, Example 65
CID 151191720
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 118538651
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138585654
2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585706
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138586401
US11814384, Example 184
CID 169077565
US10899753, Example 107
CID 146859558
ALP-POS-ced8ea4d-35
CID 156906612
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138586354
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396089
2-(1-methylpiperidin-4-yl)-N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585585
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585588

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 138585619) is N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1nc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)co1.
What is the InChIKey of N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GFZJGSLJTAMGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12(2)20-23-16(10-27-20)19(26)24-18-7-15-6-13(4-5-14(15)8-22-18)17-9-21-11-25(17)3/h4-12H,1-3H3,(H,22,24,26).
What are the key properties of N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138585619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).