N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide

C17H15N5O3 — CID 51044362

IUPACN'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1nnc(-c2ccc(NC(=O)C(=O)NCc3cccnc3)cc2)o1
InChIInChI=1S/C17H15N5O3/c1-11-21-22-17(25-11)13-4-6-14(7-5-13)20-16(24)15(23)19-10-12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyJOACJOVDVIMGEX-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.69
Rot. Bonds4

About N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 51044362) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID51044362
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1nnc(-c2ccc(NC(=O)C(=O)NCc3cccnc3)cc2)o1
InChIInChI=1S/C17H15N5O3/c1-11-21-22-17(25-11)13-4-6-14(7-5-13)20-16(24)15(23)19-10-12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24)
InChIKeyJOACJOVDVIMGEX-UHFFFAOYSA-N
XLogP1.69
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.69
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'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53032149
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995384
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953

Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide (CID 51044362) is N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide is Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3cccnc3)cc2)o1.
What is the InChIKey of N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is JOACJOVDVIMGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-21-22-17(25-11)13-4-6-14(7-5-13)20-16(24)15(23)19-10-12-3-2-8-18-9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 337.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 51044362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).