N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide

C19H17N7O3S — CID 166195854

IUPACN'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide
SMILESO=C(NCc1nc(-c2cccs2)n[nH]1)C(=O)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C19H17N7O3S/c27-18(20-10-15-23-17(25-24-15)13-7-4-8-30-13)19(28)21-11-16-22-14(26-29-16)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,27)(H,21,28)(H,23,24,25)
InChIKeyVMFURARTRUXILE-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.44
Rot. Bonds7

About N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide

N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide (PubChem CID 166195854) has the molecular formula C19H17N7O3S and a molecular weight of 423.46 g/mol. Its IUPAC name is N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide
PubChem CID166195854
Molecular FormulaC19H17N7O3S
Molecular Weight423.46 g/mol
Exact Mass423.11
IUPAC NameN'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide
SMILESO=C(NCc1nc(-c2cccs2)n[nH]1)C(=O)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C19H17N7O3S/c27-18(20-10-15-23-17(25-24-15)13-7-4-8-30-13)19(28)21-11-16-22-14(26-29-16)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,27)(H,21,28)(H,23,24,25)
InChIKeyVMFURARTRUXILE-UHFFFAOYSA-N
XLogP1.44
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
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2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
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N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
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3-(benzenesulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310602
1-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 62733214
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
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N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 110354844
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
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2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide?
The IUPAC name of N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide (CID 166195854) is N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide.
What is the SMILES notation for N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide?
The canonical SMILES for N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide is O=C(NCc1nc(-c2cccs2)n[nH]1)C(=O)NCc1nc(Cc2ccccc2)no1.
What is the InChIKey of N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide?
The InChIKey is VMFURARTRUXILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3S/c27-18(20-10-15-23-17(25-24-15)13-7-4-8-30-13)19(28)21-11-16-22-14(26-29-16)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,27)(H,21,28)(H,23,24,25).
What are the key properties of N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide?
N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide has a molecular weight of 423.46 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide is sourced from PubChem (CID 166195854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).