N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide

C19H18F2N4O3 — CID 122265850

IUPACN'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESCc1cc(C)n(C(CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccco2)n1
InChIInChI=1S/C19H18F2N4O3/c1-11-8-12(2)25(24-11)16(17-4-3-7-28-17)10-22-18(26)19(27)23-15-9-13(20)5-6-14(15)21/h3-9,16H,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHLMGPGMDAWBFHF-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.72
Rot. Bonds5

About N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide

N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide (PubChem CID 122265850) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
PubChem CID122265850
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC NameN'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESCc1cc(C)n(C(CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccco2)n1
InChIInChI=1S/C19H18F2N4O3/c1-11-8-12(2)25(24-11)16(17-4-3-7-28-17)10-22-18(26)19(27)23-15-9-13(20)5-6-14(15)21/h3-9,16H,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHLMGPGMDAWBFHF-UHFFFAOYSA-N
XLogP2.72
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265841
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 122265860
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,4-difluorobenzamide
CID 122244397
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 122265812
N'-(3-chloro-4-methylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265865
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N'-(2,5-difluorophenyl)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]oxamide
CID 42545875
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265518
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide (CID 122265850) is N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide is Cc1cc(C)n(C(CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccco2)n1.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is HLMGPGMDAWBFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-11-8-12(2)25(24-11)16(17-4-3-7-28-17)10-22-18(26)19(27)23-15-9-13(20)5-6-14(15)21/h3-9,16H,10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 388.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 122265850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).