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

C17H15N3O3 — CID 110643559

IUPAC2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C17H15N3O3/c1-11-18-17(23-20-11)12-7-9-13(10-8-12)19-16(21)14-5-3-4-6-15(14)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyVOFUHGVDBTWTRV-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.31
Rot. Bonds4

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

2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 110643559) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID110643559
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C17H15N3O3/c1-11-18-17(23-20-11)12-7-9-13(10-8-12)19-16(21)14-5-3-4-6-15(14)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyVOFUHGVDBTWTRV-UHFFFAOYSA-N
XLogP3.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 17171705
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
CID 46376165
(2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
CID 91905450
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 110643559) is 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(-c2nc(C)no2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is VOFUHGVDBTWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-18-17(23-20-11)12-7-9-13(10-8-12)19-16(21)14-5-3-4-6-15(14)22-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 110643559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).