N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

C24H25N3O7 — CID 20766817

IUPACN'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CCOc2ccc3c(c2)OCO3)ccc1-c1cnco1
InChIInChI=1S/C24H25N3O7/c1-24(2,8-9-31-16-5-7-18-20(11-16)34-14-33-18)27-23(29)22(28)26-15-4-6-17(19(10-15)30-3)21-12-25-13-32-21/h4-7,10-13H,8-9,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyGSTRHKUHRQLKDD-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.38
Rot. Bonds8

About N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766817) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766817
Molecular FormulaC24H25N3O7
Molecular Weight467.48 g/mol
Exact Mass467.17
IUPAC NameN'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CCOc2ccc3c(c2)OCO3)ccc1-c1cnco1
InChIInChI=1S/C24H25N3O7/c1-24(2,8-9-31-16-5-7-18-20(11-16)34-14-33-18)27-23(29)22(28)26-15-4-6-17(19(10-15)30-3)21-12-25-13-32-21/h4-7,10-13H,8-9,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyGSTRHKUHRQLKDD-UHFFFAOYSA-N
XLogP3.38
TPSA121.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide 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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(3-methoxyphenoxy)-2-methylbutan-2-yl]oxamide
CID 20766863
N'-[4-(3-acetamidophenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766774
N'-[4-(2-acetamido-5-methylphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766766
N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766796
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213
tert-butyl 2-[4-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]piperazin-1-yl]acetate
CID 20766965
N'-[1-(3-cyanophenoxy)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766640
N'-[1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766739
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570
N'-[1-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766622
N'-[1-[4-(3,3-dimethylbutanoylamino)phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766676

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 20766817) is N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)CCOc2ccc3c(c2)OCO3)ccc1-c1cnco1.
What is the InChIKey of N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is GSTRHKUHRQLKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7/c1-24(2,8-9-31-16-5-7-18-20(11-16)34-14-33-18)27-23(29)22(28)26-15-4-6-17(19(10-15)30-3)21-12-25-13-32-21/h4-7,10-13H,8-9,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 467.48 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).