5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide

C25H22N4O5S — CID 164728530

IUPAC5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)oc3-c3ccc(OC)cc3)cc2)ccn1
InChIInChI=1S/C25H22N4O5S/c1-26-23(30)20-14-19(12-13-27-20)33-18-10-6-16(7-11-18)28-24(31)21-22(34-25(29-21)35-3)15-4-8-17(32-2)9-5-15/h4-14H,1-3H3,(H,26,30)(H,28,31)
InChIKeyGDULRNURVDMPLH-UHFFFAOYSA-N
MW490.54 g/mol
LogP4.87
Rot. Bonds8

About 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide

5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide (PubChem CID 164728530) has the molecular formula C25H22N4O5S and a molecular weight of 490.54 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide
PubChem CID164728530
Molecular FormulaC25H22N4O5S
Molecular Weight490.54 g/mol
Exact Mass490.13
IUPAC Name5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)oc3-c3ccc(OC)cc3)cc2)ccn1
InChIInChI=1S/C25H22N4O5S/c1-26-23(30)20-14-19(12-13-27-20)33-18-10-6-16(7-11-18)28-24(31)21-22(34-25(29-21)35-3)15-4-8-17(32-2)9-5-15/h4-14H,1-3H3,(H,26,30)(H,28,31)
InChIKeyGDULRNURVDMPLH-UHFFFAOYSA-N
XLogP4.87
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide
CID 71262703
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 71609349
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
N-methyl-4-[4-[2-[(4-methylsulfanylphenyl)carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11407586
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433842
4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 165090348
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide (CID 164728530) is 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)oc3-c3ccc(OC)cc3)cc2)ccn1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide?
The InChIKey is GDULRNURVDMPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S/c1-26-23(30)20-14-19(12-13-27-20)33-18-10-6-16(7-11-18)28-24(31)21-22(34-25(29-21)35-3)15-4-8-17(32-2)9-5-15/h4-14H,1-3H3,(H,26,30)(H,28,31).
What are the key properties of 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164728530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).