3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide

C17H15N3O3 — CID 55631453

IUPAC3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide
SMILESCc1nc(-c2ccc(OCc3cccc(C(N)=O)c3)cc2)no1
InChIInChI=1S/C17H15N3O3/c1-11-19-17(20-23-11)13-5-7-15(8-6-13)22-10-12-3-2-4-14(9-12)16(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyNAVAEIQGELSVIY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.72
Rot. Bonds5

About 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide

3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide (PubChem CID 55631453) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide
PubChem CID55631453
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide
SMILESCc1nc(-c2ccc(OCc3cccc(C(N)=O)c3)cc2)no1
InChIInChI=1S/C17H15N3O3/c1-11-19-17(20-23-11)13-5-7-15(8-6-13)22-10-12-3-2-4-14(9-12)16(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyNAVAEIQGELSVIY-UHFFFAOYSA-N
XLogP2.72
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-methyl-1,2,4-oxadiazole
CID 17436419
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 32637808
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
5-methyl-3-[4-[(5-nitrothiophen-3-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 86808315
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287381
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide?
The IUPAC name of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide (CID 55631453) is 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide.
What is the SMILES notation for 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide?
The canonical SMILES for 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide is Cc1nc(-c2ccc(OCc3cccc(C(N)=O)c3)cc2)no1.
What is the InChIKey of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide?
The InChIKey is NAVAEIQGELSVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-19-17(20-23-11)13-5-7-15(8-6-13)22-10-12-3-2-4-14(9-12)16(18)21/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide?
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide is sourced from PubChem (CID 55631453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).