N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide

C16H13N3O3 — CID 108519420

IUPACN-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N3O3/c1-10-2-7-14(20)13(8-10)19-16(22)15(21)18-12-5-3-11(9-17)4-6-12/h2-8,20H,1H3,(H,18,21)(H,19,22)
InChIKeyTXUIVLPCECJRAS-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.15
Rot. Bonds2

About N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide

N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide (PubChem CID 108519420) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
PubChem CID108519420
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N3O3/c1-10-2-7-14(20)13(8-10)19-16(22)15(21)18-12-5-3-11(9-17)4-6-12/h2-8,20H,1H3,(H,18,21)(H,19,22)
InChIKeyTXUIVLPCECJRAS-UHFFFAOYSA-N
XLogP2.15
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705
N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide
CID 91650907
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
(Z)-N-(4-aminophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108818080
(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 7708098
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108986817

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide (CID 108519420) is N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide is Cc1ccc(O)c(NC(=O)C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
The InChIKey is TXUIVLPCECJRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-2-7-14(20)13(8-10)19-16(22)15(21)18-12-5-3-11(9-17)4-6-12/h2-8,20H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide has a molecular weight of 295.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108519420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).