2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide

C17H15N3O3 — CID 20896118

IUPAC2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCc1ccc(-c2noc(COc3ccccc3C(N)=O)n2)cc1
InChIInChI=1S/C17H15N3O3/c1-11-6-8-12(9-7-11)17-19-15(23-20-17)10-22-14-5-3-2-4-13(14)16(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyWLDDPCTXYQYCLL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.72
Rot. Bonds5

About 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide

2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (PubChem CID 20896118) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
PubChem CID20896118
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCc1ccc(-c2noc(COc3ccccc3C(N)=O)n2)cc1
InChIInChI=1S/C17H15N3O3/c1-11-6-8-12(9-7-11)17-19-15(23-20-17)10-22-14-5-3-2-4-13(14)16(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyWLDDPCTXYQYCLL-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

N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9353549
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 25238409
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238389
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxybenzoate
CID 16540219
2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56868729
(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 46267115
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The IUPAC name of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (CID 20896118) is 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The canonical SMILES for 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is Cc1ccc(-c2noc(COc3ccccc3C(N)=O)n2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The InChIKey is WLDDPCTXYQYCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-6-8-12(9-7-11)17-19-15(23-20-17)10-22-14-5-3-2-4-13(14)16(18)21/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]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 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 20896118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).