N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

C18H17N3O4 — CID 110390918

IUPACN-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O4/c1-23-14-7-9-15(10-8-14)24-12-11-19-16(22)18-21-20-17(25-18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyHBNLFRVAOFYCKL-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.55
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110390918) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110390918
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O4/c1-23-14-7-9-15(10-8-14)24-12-11-19-16(22)18-21-20-17(25-18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyHBNLFRVAOFYCKL-UHFFFAOYSA-N
XLogP2.55
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.55
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-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]benzamide
CID 137425209
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 84601948

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110390918) is N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is COc1ccc(OCCNC(=O)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HBNLFRVAOFYCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-14-7-9-15(10-8-14)24-12-11-19-16(22)18-21-20-17(25-18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110390918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).