3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide

C27H26N2O4 — CID 55846787

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C27H26N2O4/c1-19-26(20(2)33-29-19)18-32-25-13-7-11-23(15-25)27(30)28-16-22-10-6-12-24(14-22)31-17-21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3,(H,28,30)
InChIKeyXCOSDFDVBUUYNC-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.38
Rot. Bonds9

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 55846787) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
PubChem CID55846787
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C27H26N2O4/c1-19-26(20(2)33-29-19)18-32-25-13-7-11-23(15-25)27(30)28-16-22-10-6-12-24(14-22)31-17-21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3,(H,28,30)
InChIKeyXCOSDFDVBUUYNC-UHFFFAOYSA-N
XLogP5.38
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30750475
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709579
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 30832407
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 30873457
methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 32726912
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide (CID 55846787) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is XCOSDFDVBUUYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-19-26(20(2)33-29-19)18-32-25-13-7-11-23(15-25)27(30)28-16-22-10-6-12-24(14-22)31-17-21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3,(H,28,30).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55846787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).