N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide

C11H10FN5O2 — CID 108529871

IUPACN-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H10FN5O2/c12-8-3-1-7(2-4-8)5-13-9(18)10(19)16-11-14-6-15-17-11/h1-4,6H,5H2,(H,13,18)(H2,14,15,16,17,19)
InChIKeyFXPFOCLIFRWVBB-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.20
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108529871) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108529871
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H10FN5O2/c12-8-3-1-7(2-4-8)5-13-9(18)10(19)16-11-14-6-15-17-11/h1-4,6H,5H2,(H,13,18)(H2,14,15,16,17,19)
InChIKeyFXPFOCLIFRWVBB-UHFFFAOYSA-N
XLogP0.20
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxo-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 91188078
N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108507475
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529940
N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487427
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108529871) is N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide is O=C(NCc1ccc(F)cc1)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is FXPFOCLIFRWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c12-8-3-1-7(2-4-8)5-13-9(18)10(19)16-11-14-6-15-17-11/h1-4,6H,5H2,(H,13,18)(H2,14,15,16,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 263.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108529871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).