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

C15H14N4O3 — CID 6625823

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)no1
InChIInChI=1S/C15H14N4O3/c1-9-7-13(18-22-9)17-15(21)16-12-8-19(2)14(20)11-6-4-3-5-10(11)12/h3-8H,1-2H3,(H2,16,17,18,21)
InChIKeyPXHYXJFPBOKKGU-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.48
Rot. Bonds2

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

1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea (PubChem CID 6625823) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
PubChem CID6625823
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)no1
InChIInChI=1S/C15H14N4O3/c1-9-7-13(18-22-9)17-15(21)16-12-8-19(2)14(20)11-6-4-3-5-10(11)12/h3-8H,1-2H3,(H2,16,17,18,21)
InChIKeyPXHYXJFPBOKKGU-UHFFFAOYSA-N
XLogP2.48
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924386
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812172
N-(2-methyl-1-oxoisoquinolin-4-yl)morpholine-4-carboxamide
CID 20910160
2-(1,2-dimethylindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110768894
ethane;2-methyl-4-(methylamino)isoquinolin-1-one
CID 142426348
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865242

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea (CID 6625823) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea?
The InChIKey is PXHYXJFPBOKKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-7-13(18-22-9)17-15(21)16-12-8-19(2)14(20)11-6-4-3-5-10(11)12/h3-8H,1-2H3,(H2,16,17,18,21).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea has a molecular weight of 298.30 g/mol, XLogP of 2.48, 2 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-methyl-1-oxoisoquinolin-4-yl)urea is sourced from PubChem (CID 6625823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).