N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C24H20N6O4 — CID 122313520

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C24H20N6O4/c1-14-15(2)30(13-25-14)22-12-23(27-16(3)26-22)33-18-8-6-17(7-9-18)28-24(31)19-11-21(34-29-19)20-5-4-10-32-20/h4-13H,1-3H3,(H,28,31)
InChIKeyYZDOJVZKVAHPGJ-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.88
Rot. Bonds6

About N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 122313520) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID122313520
Molecular FormulaC24H20N6O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C24H20N6O4/c1-14-15(2)30(13-25-14)22-12-23(27-16(3)26-22)33-18-8-6-17(7-9-18)28-24(31)19-11-21(34-29-19)20-5-4-10-32-20/h4-13H,1-3H3,(H,28,31)
InChIKeyYZDOJVZKVAHPGJ-UHFFFAOYSA-N
XLogP4.88
TPSA121.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122313569
5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide
CID 122313142
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122313524
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122313392
2-bromo-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]benzamide
CID 122313706
1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122313433
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 122313542
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 122313530
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122313578
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122313454
(E)-3-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 122313624
2-(1-adamantyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]acetamide
CID 122313595

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 122313520) is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1nc(Oc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)cc(-n2cnc(C)c2C)n1.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YZDOJVZKVAHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4/c1-14-15(2)30(13-25-14)22-12-23(27-16(3)26-22)33-18-8-6-17(7-9-18)28-24(31)19-11-21(34-29-19)20-5-4-10-32-20/h4-13H,1-3H3,(H,28,31).
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 456.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122313520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).