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

C24H19FN4O5S — CID 71262703

IUPAC5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)=O)oc3-c3ccc(F)cc3)cc2)ccn1
InChIInChI=1S/C24H19FN4O5S/c1-26-22(30)19-13-18(11-12-27-19)33-17-9-7-16(8-10-17)28-23(31)20-21(34-24(29-20)35(2)32)14-3-5-15(25)6-4-14/h3-13H,1-2H3,(H,26,30)(H,28,31)
InChIKeyPOUZBGJOMGFZJC-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.02
Rot. Bonds7

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

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide (PubChem CID 71262703) has the molecular formula C24H19FN4O5S and a molecular weight of 494.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide
PubChem CID71262703
Molecular FormulaC24H19FN4O5S
Molecular Weight494.50 g/mol
Exact Mass494.11
IUPAC Name5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)=O)oc3-c3ccc(F)cc3)cc2)ccn1
InChIInChI=1S/C24H19FN4O5S/c1-26-22(30)19-13-18(11-12-27-19)33-17-9-7-16(8-10-17)28-23(31)20-21(34-24(29-20)35(2)32)14-3-5-15(25)6-4-14/h3-13H,1-2H3,(H,26,30)(H,28,31)
InChIKeyPOUZBGJOMGFZJC-UHFFFAOYSA-N
XLogP4.02
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(4-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-oxazole-4-carboxamide
CID 164728530
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 71609349
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 165090348
4-[4-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 90337814
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[4-[[(E)-3-(4-fluorophenyl)-2-(1-methylsulfinylethylideneamino)-3-phenylprop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 90339301
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130247726
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide (CID 71262703) is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)=O)oc3-c3ccc(F)cc3)cc2)ccn1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
The InChIKey is POUZBGJOMGFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O5S/c1-26-22(30)19-13-18(11-12-27-19)33-17-9-7-16(8-10-17)28-23(31)20-21(34-24(29-20)35(2)32)14-3-5-15(25)6-4-14/h3-13H,1-2H3,(H,26,30)(H,28,31).
What are the key properties of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide has a molecular weight of 494.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71262703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).