N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C18H17N3O3 — CID 24605172

IUPACN-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-12-11-19-16(22)13-7-9-15(10-8-13)18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyKYJAAHGUWUKQHU-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.78
Rot. Bonds6

About N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24605172) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24605172
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-12-11-19-16(22)13-7-9-15(10-8-13)18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyKYJAAHGUWUKQHU-UHFFFAOYSA-N
XLogP2.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24607474
N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 17480200
N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46558814
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24605172) is N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is COCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is KYJAAHGUWUKQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-12-11-19-16(22)13-7-9-15(10-8-13)18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 323.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24605172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).