5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide

C24H24N4O5 — CID 100829773

IUPAC5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2noc([C@H](NC(=O)c3cc(-c4ccc(OC)cc4)on3)C(C)C)n2)cc1
InChIInChI=1S/C24H24N4O5/c1-14(2)21(24-26-22(28-33-24)16-7-11-18(31-4)12-8-16)25-23(29)19-13-20(32-27-19)15-5-9-17(30-3)10-6-15/h5-14,21H,1-4H3,(H,25,29)/t21-/m1/s1
InChIKeyVJCGDJIBBNCHDX-OAQYLSRUSA-N
MW448.48 g/mol
LogP4.54
Rot. Bonds8

About 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 100829773) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide
PubChem CID100829773
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2noc([C@H](NC(=O)c3cc(-c4ccc(OC)cc4)on3)C(C)C)n2)cc1
InChIInChI=1S/C24H24N4O5/c1-14(2)21(24-26-22(28-33-24)16-7-11-18(31-4)12-8-16)25-23(29)19-13-20(32-27-19)15-5-9-17(30-3)10-6-15/h5-14,21H,1-4H3,(H,25,29)/t21-/m1/s1
InChIKeyVJCGDJIBBNCHDX-OAQYLSRUSA-N
XLogP4.54
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 44373706
5-[3-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 156198092
N-methyl-5-[3-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazole-3-carboxamide
CID 156198094
5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 156198099
N-benzyl-5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazole-3-carboxamide
CID 156198100
N,N-dimethyl-5-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazole-3-carboxamide
CID 156198102
5-[3-[2-amino-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 162643239
5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 162669293
N-(3-(1H-Imidazol-1-yl)propyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 6619146
US11306078, Example 1.047
CID 141748985
5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 162673562
N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-5-phenyl-3-isoxazolecarboxamide
CID 70719427

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide (CID 100829773) is 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2noc([C@H](NC(=O)c3cc(-c4ccc(OC)cc4)on3)C(C)C)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VJCGDJIBBNCHDX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-14(2)21(24-26-22(28-33-24)16-7-11-18(31-4)12-8-16)25-23(29)19-13-20(32-27-19)15-5-9-17(30-3)10-6-15/h5-14,21H,1-4H3,(H,25,29)/t21-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 100829773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).