1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea

C18H20N4O3 — CID 20924386

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
SMILESCc1cc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)no1
InChIInChI=1S/C18H20N4O3/c1-11(2)9-22-10-15(13-6-4-5-7-14(13)17(22)23)19-18(24)20-16-8-12(3)25-21-16/h4-8,10-11H,9H2,1-3H3,(H2,19,20,21,24)
InChIKeyDDACYMAYSXMFKD-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.60
Rot. Bonds4

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea (PubChem CID 20924386) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
PubChem CID20924386
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
SMILESCc1cc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)no1
InChIInChI=1S/C18H20N4O3/c1-11(2)9-22-10-15(13-6-4-5-7-14(13)17(22)23)19-18(24)20-16-8-12(3)25-21-16/h4-8,10-11H,9H2,1-3H3,(H2,19,20,21,24)
InChIKeyDDACYMAYSXMFKD-UHFFFAOYSA-N
XLogP3.60
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea with MolForge

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
CID 6625823
1-(4-bromo-2-methylphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924392
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924387
2,6-dimethyl-N-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]piperidine-1-carboxamide
CID 20924488
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 92706705
1-(2-methylphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-1-propylurea
CID 20924440
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442803
N-(1H-indol-4-yl)-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 56763575
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea (CID 20924386) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea is Cc1cc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
The InChIKey is DDACYMAYSXMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)9-22-10-15(13-6-4-5-7-14(13)17(22)23)19-18(24)20-16-8-12(3)25-21-16/h4-8,10-11H,9H2,1-3H3,(H2,19,20,21,24).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea has a molecular weight of 340.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea is sourced from PubChem (CID 20924386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).