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

C23H26N2O3 — CID 46533721

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-4-8-22(18-9-6-5-7-10-18)24-23(26)19-11-13-20(14-12-19)27-15-21-16(2)25-28-17(21)3/h5-7,9-14,22H,4,8,15H2,1-3H3,(H,24,26)
InChIKeyHTIZNLFBKCZADD-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.14
Rot. Bonds8

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide (PubChem CID 46533721) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
PubChem CID46533721
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-4-8-22(18-9-6-5-7-10-18)24-23(26)19-11-13-20(14-12-19)27-15-21-16(2)25-28-17(21)3/h5-7,9-14,22H,4,8,15H2,1-3H3,(H,24,26)
InChIKeyHTIZNLFBKCZADD-UHFFFAOYSA-N
XLogP5.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
CID 43027703
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
CID 42988184
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 9292301
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78773318
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 8937144
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 47078883
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
CID 71493816
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide (CID 46533721) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccccc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide?
The InChIKey is HTIZNLFBKCZADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-8-22(18-9-6-5-7-10-18)24-23(26)19-11-13-20(14-12-19)27-15-21-16(2)25-28-17(21)3/h5-7,9-14,22H,4,8,15H2,1-3H3,(H,24,26).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide has a molecular weight of 378.47 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 46533721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).