2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide

C17H22N4O3 — CID 97211516

IUPAC2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide
SMILESCc1ccc(-n2nnc(CC(=O)NO[C@@H]3CCCCO3)c2C)cc1
InChIInChI=1S/C17H22N4O3/c1-12-6-8-14(9-7-12)21-13(2)15(18-20-21)11-16(22)19-24-17-5-3-4-10-23-17/h6-9,17H,3-5,10-11H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyLHQGAKFWLFWRGP-QGZVFWFLSA-N
MW330.39 g/mol
LogP2.00
Rot. Bonds5

About 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide (PubChem CID 97211516) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide
PubChem CID97211516
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide
SMILESCc1ccc(-n2nnc(CC(=O)NO[C@@H]3CCCCO3)c2C)cc1
InChIInChI=1S/C17H22N4O3/c1-12-6-8-14(9-7-12)21-13(2)15(18-20-21)11-16(22)19-24-17-5-3-4-10-23-17/h6-9,17H,3-5,10-11H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyLHQGAKFWLFWRGP-QGZVFWFLSA-N
XLogP2.00
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94821745
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
N-(oxan-2-yloxy)-2-pyrimidin-5-ylacetamide
CID 154862278
2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211323
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119574467
2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 125151906
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728
1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
CID 94825511
1-methyl-N-(oxan-2-yloxy)pyrazole-4-carboxamide
CID 51103148
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
CID 52828959
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824444

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide?
The IUPAC name of 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide (CID 97211516) is 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide.
What is the SMILES notation for 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide?
The canonical SMILES for 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide is Cc1ccc(-n2nnc(CC(=O)NO[C@@H]3CCCCO3)c2C)cc1.
What is the InChIKey of 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide?
The InChIKey is LHQGAKFWLFWRGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-6-8-14(9-7-12)21-13(2)15(18-20-21)11-16(22)19-24-17-5-3-4-10-23-17/h6-9,17H,3-5,10-11H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide?
2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide has a molecular weight of 330.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide is sourced from PubChem (CID 97211516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).