N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide

C26H25N3O5 — CID 30330604

IUPACN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)c1
InChIInChI=1S/C26H25N3O5/c1-4-14-33-19-9-7-8-18(15-19)25(30)27-21-11-6-5-10-20(21)26-28-24(29-34-26)17-12-13-22(31-2)23(16-17)32-3/h5-13,15-16H,4,14H2,1-3H3,(H,27,30)
InChIKeyFGAFXLWVTIXANK-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.46
Rot. Bonds9

About N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide (PubChem CID 30330604) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
PubChem CID30330604
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)c1
InChIInChI=1S/C26H25N3O5/c1-4-14-33-19-9-7-8-18(15-19)25(30)27-21-11-6-5-10-20(21)26-28-24(29-34-26)17-12-13-22(31-2)23(16-17)32-3/h5-13,15-16H,4,14H2,1-3H3,(H,27,30)
InChIKeyFGAFXLWVTIXANK-UHFFFAOYSA-N
XLogP5.46
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330564
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330712
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4900186
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895
3-(2-methoxyethoxy)-N-(2-phenylphenyl)benzamide
CID 60564696
N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
CID 2901874
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330865
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide (CID 30330604) is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)c1.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide?
The InChIKey is FGAFXLWVTIXANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-4-14-33-19-9-7-8-18(15-19)25(30)27-21-11-6-5-10-20(21)26-28-24(29-34-26)17-12-13-22(31-2)23(16-17)32-3/h5-13,15-16H,4,14H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide?
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide has a molecular weight of 459.50 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide is sourced from PubChem (CID 30330604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).