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

C25H23N3O4 — CID 46558814

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C25H23N3O4/c1-17-6-5-7-20(16-17)25-28-27-24(32-25)19-12-10-18(11-13-19)23(29)26-14-15-31-22-9-4-3-8-21(22)30-2/h3-13,16H,14-15H2,1-2H3,(H,26,29)
InChIKeyZLMWCZXEEOXVQI-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.53
Rot. Bonds8

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

N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 46558814) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID46558814
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C25H23N3O4/c1-17-6-5-7-20(16-17)25-28-27-24(32-25)19-12-10-18(11-13-19)23(29)26-14-15-31-22-9-4-3-8-21(22)30-2/h3-13,16H,14-15H2,1-2H3,(H,26,29)
InChIKeyZLMWCZXEEOXVQI-UHFFFAOYSA-N
XLogP4.53
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481
2-methoxy-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321299
N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18113511
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 38076438
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030458

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 46558814) is N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccccc1OCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZLMWCZXEEOXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-6-5-7-20(16-17)25-28-27-24(32-25)19-12-10-18(11-13-19)23(29)26-14-15-31-22-9-4-3-8-21(22)30-2/h3-13,16H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 46558814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).