2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C25H22N2O4 — CID 16867492

IUPAC2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(-c3ccc(-c4ccccc4)cc3)on2)c(OC)c1
InChIInChI=1S/C25H22N2O4/c1-29-21-12-13-22(24(15-21)30-2)25(28)26-16-20-14-23(31-27-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyAPOBYCFZJOLADT-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.96
Rot. Bonds7

About 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide

2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16867492) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16867492
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(-c3ccc(-c4ccccc4)cc3)on2)c(OC)c1
InChIInChI=1S/C25H22N2O4/c1-29-21-12-13-22(24(15-21)30-2)25(28)26-16-20-14-23(31-27-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyAPOBYCFZJOLADT-UHFFFAOYSA-N
XLogP4.96
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 16867217
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2,3-dimethoxybenzamide
CID 16866739
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 2997012

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16867492) is 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1ccc(C(=O)NCc2cc(-c3ccc(-c4ccccc4)cc3)on2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is APOBYCFZJOLADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-21-12-13-22(24(15-21)30-2)25(28)26-16-20-14-23(31-27-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16867492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).