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

C25H29N5O6 — CID 22558459

IUPACN'-[1-[4-(furan-2-carbonyl)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(C(=O)c3ccco3)CC2)ccc1-c1cnco1
InChIInChI=1S/C25H29N5O6/c1-25(2,15-29-8-10-30(11-9-29)24(33)19-5-4-12-35-19)28-23(32)22(31)27-17-6-7-18(20(13-17)34-3)21-14-26-16-36-21/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyPXLIERADQRMRDX-UHFFFAOYSA-N
MW495.54 g/mol
LogP2.23
Rot. Bonds7

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

N'-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 22558459) has the molecular formula C25H29N5O6 and a molecular weight of 495.54 g/mol. Its IUPAC name is N'-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID22558459
Molecular FormulaC25H29N5O6
Molecular Weight495.54 g/mol
Exact Mass495.21
IUPAC NameN'-[1-[4-(furan-2-carbonyl)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(C(=O)c3ccco3)CC2)ccc1-c1cnco1
InChIInChI=1S/C25H29N5O6/c1-25(2,15-29-8-10-30(11-9-29)24(33)19-5-4-12-35-19)28-23(32)22(31)27-17-6-7-18(20(13-17)34-3)21-14-26-16-36-21/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyPXLIERADQRMRDX-UHFFFAOYSA-N
XLogP2.23
TPSA130.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 52.23
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-[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
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-[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-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 22558449
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'-[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-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570
ethyl 4-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropanoyl]piperazine-1-carboxylate
CID 67047114
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
CID 20766530
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(3-methoxyphenoxy)-2-methylbutan-2-yl]oxamide
CID 20766863

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 22558459) is N'-[1-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)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-(furan-2-carbonyl)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(C(=O)c3ccco3)CC2)ccc1-c1cnco1.
What is the InChIKey of N'-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is PXLIERADQRMRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O6/c1-25(2,15-29-8-10-30(11-9-29)24(33)19-5-4-12-35-19)28-23(32)22(31)27-17-6-7-18(20(13-17)34-3)21-14-26-16-36-21/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of N'-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 495.54 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 22558459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).