5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide

C25H21N3O4 — CID 53010732

IUPAC5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(OCc2cc(C(=O)NCc3ccccc3)no2)cc1)c1ccccc1
InChIInChI=1S/C25H21N3O4/c29-24(19-9-5-2-6-10-19)27-20-11-13-21(14-12-20)31-17-22-15-23(28-32-22)25(30)26-16-18-7-3-1-4-8-18/h1-15H,16-17H2,(H,26,30)(H,27,29)
InChIKeyONDYPOVTZDBJNP-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.44
Rot. Bonds8

About 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide

5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide (PubChem CID 53010732) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
PubChem CID53010732
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(OCc2cc(C(=O)NCc3ccccc3)no2)cc1)c1ccccc1
InChIInChI=1S/C25H21N3O4/c29-24(19-9-5-2-6-10-19)27-20-11-13-21(14-12-20)31-17-22-15-23(28-32-22)25(30)26-16-18-7-3-1-4-8-18/h1-15H,16-17H2,(H,26,30)(H,27,29)
InChIKeyONDYPOVTZDBJNP-UHFFFAOYSA-N
XLogP4.44
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
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-[(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-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 53110053
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
5-[[4-[(3-chlorobenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110297
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide (CID 53010732) is 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(OCc2cc(C(=O)NCc3ccccc3)no2)cc1)c1ccccc1.
What is the InChIKey of 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide?
The InChIKey is ONDYPOVTZDBJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-24(19-9-5-2-6-10-19)27-20-11-13-21(14-12-20)31-17-22-15-23(28-32-22)25(30)26-16-18-7-3-1-4-8-18/h1-15H,16-17H2,(H,26,30)(H,27,29).
What are the key properties of 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide?
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53010732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).