N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

C13H15N5O2 — CID 108500578

IUPACN-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H15N5O2/c1-8(2)9-5-3-4-6-10(9)16-11(19)12(20)17-13-14-7-15-18-13/h3-8H,1-2H3,(H,16,19)(H2,14,15,17,18,20)
InChIKeyYFVADBIUEUQLKM-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.51
Rot. Bonds3

About N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108500578) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108500578
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H15N5O2/c1-8(2)9-5-3-4-6-10(9)16-11(19)12(20)17-13-14-7-15-18-13/h3-8H,1-2H3,(H,16,19)(H2,14,15,17,18,20)
InChIKeyYFVADBIUEUQLKM-UHFFFAOYSA-N
XLogP1.51
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.51
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-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
2-bromo-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 82110523
N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500500
N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526242
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529940
2-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 121240807
N-(2-methylcyclohexyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500534

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108500578) is N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is YFVADBIUEUQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(2)9-5-3-4-6-10(9)16-11(19)12(20)17-13-14-7-15-18-13/h3-8H,1-2H3,(H,16,19)(H2,14,15,17,18,20).
What are the key properties of N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 273.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108500578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).