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

C26H30FN5O4 — CID 20766694

IUPACN'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(c3ccc(F)cc3)CC2)ccc1-c1cnco1
InChIInChI=1S/C26H30FN5O4/c1-26(2,16-31-10-12-32(13-11-31)20-7-4-18(27)5-8-20)30-25(34)24(33)29-19-6-9-21(22(14-19)35-3)23-15-28-17-36-23/h4-9,14-15,17H,10-13,16H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyJXBOMDYYJMIKRS-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.14
Rot. Bonds7

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

N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766694) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766694
Molecular FormulaC26H30FN5O4
Molecular Weight495.56 g/mol
Exact Mass495.23
IUPAC NameN'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(c3ccc(F)cc3)CC2)ccc1-c1cnco1
InChIInChI=1S/C26H30FN5O4/c1-26(2,16-31-10-12-32(13-11-31)20-7-4-18(27)5-8-20)30-25(34)24(33)29-19-6-9-21(22(14-19)35-3)23-15-28-17-36-23/h4-9,14-15,17H,10-13,16H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyJXBOMDYYJMIKRS-UHFFFAOYSA-N
XLogP3.14
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-(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-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]oxamide
CID 22558383
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
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-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
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 20766694) is N'-[1-[4-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(c3ccc(F)cc3)CC2)ccc1-c1cnco1.
What is the InChIKey of N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is JXBOMDYYJMIKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4/c1-26(2,16-31-10-12-32(13-11-31)20-7-4-18(27)5-8-20)30-25(34)24(33)29-19-6-9-21(22(14-19)35-3)23-15-28-17-36-23/h4-9,14-15,17H,10-13,16H2,1-3H3,(H,29,33)(H,30,34).
What are the key properties of N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 495.56 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).