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

C23H27N3O5 — CID 71800437

IUPAC3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2Cc2nc(C)no2)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O5/c1-5-28-19-12-17(13-20(29-6-2)22(19)30-7-3)23(27)25-18-11-9-8-10-16(18)14-21-24-15(4)26-31-21/h8-13H,5-7,14H2,1-4H3,(H,25,27)
InChIKeyFVXMIUOFYQUAGK-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.42
Rot. Bonds10

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

3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 71800437) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
PubChem CID71800437
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2Cc2nc(C)no2)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O5/c1-5-28-19-12-17(13-20(29-6-2)22(19)30-7-3)23(27)25-18-11-9-8-10-16(18)14-21-24-15(4)26-31-21/h8-13H,5-7,14H2,1-4H3,(H,25,27)
InChIKeyFVXMIUOFYQUAGK-UHFFFAOYSA-N
XLogP4.42
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562020
4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562023
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide
CID 71800432
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607611
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90562094
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
2,4-dichloro-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562040
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 71800437) is 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is CCOc1cc(C(=O)Nc2ccccc2Cc2nc(C)no2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The InChIKey is FVXMIUOFYQUAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-5-28-19-12-17(13-20(29-6-2)22(19)30-7-3)23(27)25-18-11-9-8-10-16(18)14-21-24-15(4)26-31-21/h8-13H,5-7,14H2,1-4H3,(H,25,27).
What are the key properties of 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 71800437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).