N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide

C21H23N3O4 — CID 2124393

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
SMILESCCOc1ccc(-c2nnc(NC(=O)CCCOc3cccc(C)c3)o2)cc1
InChIInChI=1S/C21H23N3O4/c1-3-26-17-11-9-16(10-12-17)20-23-24-21(28-20)22-19(25)8-5-13-27-18-7-4-6-15(2)14-18/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3,(H,22,24,25)
InChIKeyFCTJFQWRZRXNKE-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.24
Rot. Bonds9

About N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide (PubChem CID 2124393) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
PubChem CID2124393
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
SMILESCCOc1ccc(-c2nnc(NC(=O)CCCOc3cccc(C)c3)o2)cc1
InChIInChI=1S/C21H23N3O4/c1-3-26-17-11-9-16(10-12-17)20-23-24-21(28-20)22-19(25)8-5-13-27-18-7-4-6-15(2)14-18/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3,(H,22,24,25)
InChIKeyFCTJFQWRZRXNKE-UHFFFAOYSA-N
XLogP4.24
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.24
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

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 4443990
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
CID 3303968
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]butanamide
CID 5058055
5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 2369673
3-fluoro-N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4626316
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 146511999
5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 162369050
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
CID 28938024
3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 691744
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 2104218

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide (CID 2124393) is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide is CCOc1ccc(-c2nnc(NC(=O)CCCOc3cccc(C)c3)o2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide?
The InChIKey is FCTJFQWRZRXNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-26-17-11-9-16(10-12-17)20-23-24-21(28-20)22-19(25)8-5-13-27-18-7-4-6-15(2)14-18/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide?
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide has a molecular weight of 381.43 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 2124393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).