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

C25H26N4O6 — CID 20766796

IUPACN'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(C#N)ccc1OCCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
InChIInChI=1S/C25H26N4O6/c1-25(2,9-10-34-19-8-5-16(13-26)11-21(19)33-4)29-24(31)23(30)28-17-6-7-18(20(12-17)32-3)22-14-27-15-35-22/h5-8,11-12,14-15H,9-10H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyLHNNVJRWLJSRIX-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.53
Rot. Bonds9

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

N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766796) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766796
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC NameN'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(C#N)ccc1OCCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
InChIInChI=1S/C25H26N4O6/c1-25(2,9-10-34-19-8-5-16(13-26)11-21(19)33-4)29-24(31)23(30)28-17-6-7-18(20(12-17)32-3)22-14-27-15-35-22/h5-8,11-12,14-15H,9-10H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyLHNNVJRWLJSRIX-UHFFFAOYSA-N
XLogP3.53
TPSA135.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3-cyanophenoxy)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766640
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(3-methoxyphenoxy)-2-methylbutan-2-yl]oxamide
CID 20766863
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-(3-acetamidophenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766774
N'-[4-(1,3-benzodioxol-5-yloxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766817
N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766678
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
N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22558449
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-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 20766796) is N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(C#N)ccc1OCCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1.
What is the InChIKey of N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is LHNNVJRWLJSRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6/c1-25(2,9-10-34-19-8-5-16(13-26)11-21(19)33-4)29-24(31)23(30)28-17-6-7-18(20(12-17)32-3)22-14-27-15-35-22/h5-8,11-12,14-15H,9-10H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 478.51 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-cyano-2-methoxyphenoxy)-2-methylbutan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).