N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide

C13H15N5O3 — CID 108510281

IUPACN-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C13H15N5O3/c1-9(10-3-5-11(21-2)6-4-10)16-12(19)13(20)17-18-7-14-15-8-18/h3-9H,1-2H3,(H,16,19)(H,17,20)
InChIKeySNLZRKCXFACWSX-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.23
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide

N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108510281) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108510281
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C13H15N5O3/c1-9(10-3-5-11(21-2)6-4-10)16-12(19)13(20)17-18-7-14-15-8-18/h3-9H,1-2H3,(H,16,19)(H,17,20)
InChIKeySNLZRKCXFACWSX-UHFFFAOYSA-N
XLogP0.23
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
CID 124605637
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
N-(4-chloro-2-methylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510319
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
2-(azetidin-3-ylidene)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 116678300

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide (CID 108510281) is N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide is COc1ccc(C(C)NC(=O)C(=O)Nn2cnnc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is SNLZRKCXFACWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9(10-3-5-11(21-2)6-4-10)16-12(19)13(20)17-18-7-14-15-8-18/h3-9H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide?
N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 289.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108510281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).