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

C22H25N3O3 — CID 25238389

IUPACN-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)12-13-23-22(26)18-6-4-5-7-19(18)27-14-20-24-21(25-28-20)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyXDVFOMRBJMZVCT-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.40
Rot. Bonds8

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

N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (PubChem CID 25238389) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
PubChem CID25238389
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)12-13-23-22(26)18-6-4-5-7-19(18)27-14-20-24-21(25-28-20)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyXDVFOMRBJMZVCT-UHFFFAOYSA-N
XLogP4.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.40
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-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
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-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894982
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267111
N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267112
N-cyclopropyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56883843
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 25238409
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
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-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The IUPAC name of N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (CID 25238389) is N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is Cc1ccc(-c2noc(COc3ccccc3C(=O)NCCC(C)C)n2)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The InChIKey is XDVFOMRBJMZVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)12-13-23-22(26)18-6-4-5-7-19(18)27-14-20-24-21(25-28-20)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,23,26).
What are the key properties of N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 25238389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).