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

C21H23N3O3 — CID 46673190

IUPACN-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C21H23N3O3/c1-14-22-19(24-27-14)13-26-18-8-6-5-7-17(18)20(25)23-16-11-9-15(10-12-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyUYNXQMXHZAFDPQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.51
Rot. Bonds5

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

N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 46673190) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID46673190
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C21H23N3O3/c1-14-22-19(24-27-14)13-26-18-8-6-5-7-17(18)20(25)23-16-11-9-15(10-12-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyUYNXQMXHZAFDPQ-UHFFFAOYSA-N
XLogP4.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591774
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-quinolin-3-ylbenzamide
CID 31031173
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16598028
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591688
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 24686372
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 16598110

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 46673190) is N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is UYNXQMXHZAFDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-22-19(24-27-14)13-26-18-8-6-5-7-17(18)20(25)23-16-11-9-15(10-12-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 365.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 46673190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).