N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide

C23H24N2O5 — CID 24656339

IUPACN-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2coc(-c3ccc(OC)cc3)n2)c(C(C)=O)c1
InChIInChI=1S/C23H24N2O5/c1-4-5-22(27)24-17-8-11-21(20(12-17)15(2)26)29-13-18-14-30-23(25-18)16-6-9-19(28-3)10-7-16/h6-12,14H,4-5,13H2,1-3H3,(H,24,27)
InChIKeyNKAYBZYPQCKGIT-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.87
Rot. Bonds9

About N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide

N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide (PubChem CID 24656339) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
PubChem CID24656339
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2coc(-c3ccc(OC)cc3)n2)c(C(C)=O)c1
InChIInChI=1S/C23H24N2O5/c1-4-5-22(27)24-17-8-11-21(20(12-17)15(2)26)29-13-18-14-30-23(25-18)16-6-9-19(28-3)10-7-16/h6-12,14H,4-5,13H2,1-3H3,(H,24,27)
InChIKeyNKAYBZYPQCKGIT-UHFFFAOYSA-N
XLogP4.87
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
CID 55602601
N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 47030230
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 112812008
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 86927332
4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666676

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide (CID 24656339) is N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCc2coc(-c3ccc(OC)cc3)n2)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide?
The InChIKey is NKAYBZYPQCKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-5-22(27)24-17-8-11-21(20(12-17)15(2)26)29-13-18-14-30-23(25-18)16-6-9-19(28-3)10-7-16/h6-12,14H,4-5,13H2,1-3H3,(H,24,27).
What are the key properties of N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide?
N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide has a molecular weight of 408.45 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide is sourced from PubChem (CID 24656339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).