5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide

C23H24FN3O4 — CID 53110056

IUPAC5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C23H24FN3O4/c1-15(2)11-12-25-23(29)21-13-20(31-27-21)14-30-19-9-7-18(8-10-19)26-22(28)16-3-5-17(24)6-4-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyAROPQCHKKHVZEV-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.42
Rot. Bonds9

About 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide

5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (PubChem CID 53110056) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
PubChem CID53110056
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C23H24FN3O4/c1-15(2)11-12-25-23(29)21-13-20(31-27-21)14-30-19-9-7-18(8-10-19)26-22(28)16-3-5-17(24)6-4-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyAROPQCHKKHVZEV-UHFFFAOYSA-N
XLogP4.42
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110065
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110258
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
5-[(4-fluorophenoxy)methyl]-N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332875
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110030
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110124
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110271
N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110035

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (CID 53110056) is 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is CC(C)CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1.
What is the InChIKey of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AROPQCHKKHVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-15(2)11-12-25-23(29)21-13-20(31-27-21)14-30-19-9-7-18(8-10-19)26-22(28)16-3-5-17(24)6-4-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).