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

C26H29F2N5O6S — CID 20766660

IUPACN'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-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(S(=O)(=O)c3cc(F)ccc3F)CC2)ccc1-c1cnco1
InChIInChI=1S/C26H29F2N5O6S/c1-26(2,15-32-8-10-33(11-9-32)40(36,37)23-12-17(27)4-7-20(23)28)31-25(35)24(34)30-18-5-6-19(21(13-18)38-3)22-14-29-16-39-22/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyRLJQYRXUQBEXAB-UHFFFAOYSA-N
MW577.61 g/mol
LogP2.47
Rot. Bonds8

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

N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766660) has the molecular formula C26H29F2N5O6S and a molecular weight of 577.61 g/mol. Its IUPAC name is N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766660
Molecular FormulaC26H29F2N5O6S
Molecular Weight577.61 g/mol
Exact Mass577.18
IUPAC NameN'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-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(S(=O)(=O)c3cc(F)ccc3F)CC2)ccc1-c1cnco1
InChIInChI=1S/C26H29F2N5O6S/c1-26(2,15-32-8-10-33(11-9-32)40(36,37)23-12-17(27)4-7-20(23)28)31-25(35)24(34)30-18-5-6-19(21(13-18)38-3)22-14-29-16-39-22/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyRLJQYRXUQBEXAB-UHFFFAOYSA-N
XLogP2.47
TPSA134.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.61
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of 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) is N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-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-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-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(S(=O)(=O)c3cc(F)ccc3F)CC2)ccc1-c1cnco1.
What is the InChIKey of N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is RLJQYRXUQBEXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O6S/c1-26(2,15-32-8-10-33(11-9-32)40(36,37)23-12-17(27)4-7-20(23)28)31-25(35)24(34)30-18-5-6-19(21(13-18)38-3)22-14-29-16-39-22/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 577.61 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).