5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide

C26H26N4O6 — CID 121238616

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2noc(C(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)C(C)(C)C)n2)cc1
InChIInChI=1S/C26H26N4O6/c1-26(2,3)22(25-28-23(30-36-25)15-5-8-17(32-4)9-6-15)27-24(31)18-14-20(35-29-18)16-7-10-19-21(13-16)34-12-11-33-19/h5-10,13-14,22H,11-12H2,1-4H3,(H,27,31)
InChIKeyASGFHQABKGHHEO-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.69
Rot. Bonds6

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 121238616) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide
PubChem CID121238616
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2noc(C(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)C(C)(C)C)n2)cc1
InChIInChI=1S/C26H26N4O6/c1-26(2,3)22(25-28-23(30-36-25)15-5-8-17(32-4)9-6-15)27-24(31)18-14-20(35-29-18)16-7-10-19-21(13-16)34-12-11-33-19/h5-10,13-14,22H,11-12H2,1-4H3,(H,27,31)
InChIKeyASGFHQABKGHHEO-UHFFFAOYSA-N
XLogP4.69
TPSA121.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-(4-bromophenyl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 110210584
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide
CID 118984717
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 118984571
N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 97070699
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(2,5-dimethoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866926
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 35767800
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 17011861
5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 172898296
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide (CID 121238616) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2noc(C(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)C(C)(C)C)n2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ASGFHQABKGHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-26(2,3)22(25-28-23(30-36-25)15-5-8-17(32-4)9-6-15)27-24(31)18-14-20(35-29-18)16-7-10-19-21(13-16)34-12-11-33-19/h5-10,13-14,22H,11-12H2,1-4H3,(H,27,31).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121238616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).