N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

C28H35N5O6 — CID 22558449

IUPACN'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1ccc(N2CCN(CC(C)(C)NC(=O)C(=O)Nc3ccc(-c4cnco4)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C28H35N5O6/c1-28(2,17-32-10-12-33(13-11-32)20-7-9-22(36-3)24(15-20)38-5)31-27(35)26(34)30-19-6-8-21(23(14-19)37-4)25-16-29-18-39-25/h6-9,14-16,18H,10-13,17H2,1-5H3,(H,30,34)(H,31,35)
InChIKeyCLTZXVFPQOUNQM-UHFFFAOYSA-N
MW537.62 g/mol
LogP3.02
Rot. Bonds9

About N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 22558449) has the molecular formula C28H35N5O6 and a molecular weight of 537.62 g/mol. Its IUPAC name is N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID22558449
Molecular FormulaC28H35N5O6
Molecular Weight537.62 g/mol
Exact Mass537.26
IUPAC NameN'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1ccc(N2CCN(CC(C)(C)NC(=O)C(=O)Nc3ccc(-c4cnco4)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C28H35N5O6/c1-28(2,17-32-10-12-33(13-11-32)20-7-9-22(36-3)24(15-20)38-5)31-27(35)26(34)30-19-6-8-21(23(14-19)37-4)25-16-29-18-39-25/h6-9,14-16,18H,10-13,17H2,1-5H3,(H,30,34)(H,31,35)
InChIKeyCLTZXVFPQOUNQM-UHFFFAOYSA-N
XLogP3.02
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]propan-2-yl]oxamide
CID 22558476
N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766694
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]oxamide
CID 22558383
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-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22558459
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-2-yl]oxamide
CID 22558422
N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766660
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-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22558447
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
ethyl 4-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropanoyl]piperazine-1-carboxylate
CID 67047114
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of 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) is N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1ccc(N2CCN(CC(C)(C)NC(=O)C(=O)Nc3ccc(-c4cnco4)c(OC)c3)CC2)cc1OC.
What is the InChIKey of N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is CLTZXVFPQOUNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O6/c1-28(2,17-32-10-12-33(13-11-32)20-7-9-22(36-3)24(15-20)38-5)31-27(35)26(34)30-19-6-8-21(23(14-19)37-4)25-16-29-18-39-25/h6-9,14-16,18H,10-13,17H2,1-5H3,(H,30,34)(H,31,35).
What are the key properties of N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 537.62 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 22558449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).