N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide

C15H20N6O2 — CID 108519226

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nn2cnnc2)c(C)c1
InChIInChI=1S/C15H20N6O2/c1-4-20(5-2)12-6-7-13(11(3)8-12)18-14(22)15(23)19-21-9-16-17-10-21/h6-10H,4-5H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyJTIQHEQRPYOOLF-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.14
Rot. Bonds5

About N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide

N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108519226) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108519226
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nn2cnnc2)c(C)c1
InChIInChI=1S/C15H20N6O2/c1-4-20(5-2)12-6-7-13(11(3)8-12)18-14(22)15(23)19-21-9-16-17-10-21/h6-10H,4-5H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyJTIQHEQRPYOOLF-UHFFFAOYSA-N
XLogP1.14
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide (CID 108519226) is N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nn2cnnc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is JTIQHEQRPYOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-4-20(5-2)12-6-7-13(11(3)8-12)18-14(22)15(23)19-21-9-16-17-10-21/h6-10H,4-5H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 316.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108519226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).