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

C24H21N3O3 — CID 25238417

IUPACN-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESCc1ccccc1CNC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C24H21N3O3/c1-17-9-5-6-12-19(17)15-25-24(28)20-13-7-8-14-21(20)29-16-22-26-23(27-30-22)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeySRRUMKMAYJAFSN-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.55
Rot. Bonds7

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

N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (PubChem CID 25238417) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
PubChem CID25238417
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESCc1ccccc1CNC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C24H21N3O3/c1-17-9-5-6-12-19(17)15-25-24(28)20-13-7-8-14-21(20)29-16-22-26-23(27-30-22)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeySRRUMKMAYJAFSN-UHFFFAOYSA-N
XLogP4.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238389
N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 9354612
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140
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]benzamide
CID 20896118
N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894982
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 92903340

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (CID 25238417) is N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is Cc1ccccc1CNC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The InChIKey is SRRUMKMAYJAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17-9-5-6-12-19(17)15-25-24(28)20-13-7-8-14-21(20)29-16-22-26-23(27-30-22)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 25238417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).