N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide

C14H17N5O2 — CID 51054016

IUPACN-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H17N5O2/c1-10(2)7-15-13(20)14(21)18-11-4-3-5-12(6-11)19-8-16-17-9-19/h3-6,8-10H,7H2,1-2H3,(H,15,20)(H,18,21)
InChIKeySYXSZSNEGLMGDF-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.98
Rot. Bonds4

About N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide

N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide (PubChem CID 51054016) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
PubChem CID51054016
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H17N5O2/c1-10(2)7-15-13(20)14(21)18-11-4-3-5-12(6-11)19-8-16-17-9-19/h3-6,8-10H,7H2,1-2H3,(H,15,20)(H,18,21)
InChIKeySYXSZSNEGLMGDF-UHFFFAOYSA-N
XLogP0.98
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.98
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-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
2-bromo-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 107903702
N-(2-methyl-2-morpholin-4-ylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51052710
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
1-[3-(4-methylpiperazin-1-yl)butyl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 119066280
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51052929
N-(3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691963
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N-(3-methylbutan-2-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691997
2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 103732714
cis-(1R,3S)-2,2-dimethyl-3-[[3-(1,2,4-triazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95392149
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 61178728

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
The IUPAC name of N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide (CID 51054016) is N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide is CC(C)CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1.
What is the InChIKey of N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
The InChIKey is SYXSZSNEGLMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10(2)7-15-13(20)14(21)18-11-4-3-5-12(6-11)19-8-16-17-9-19/h3-6,8-10H,7H2,1-2H3,(H,15,20)(H,18,21).
What are the key properties of N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide?
N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide has a molecular weight of 287.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide is sourced from PubChem (CID 51054016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).