5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide

C21H22N4O3 — CID 110391797

IUPAC5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1
InChIInChI=1S/C21H22N4O3/c1-27-18-8-4-3-7-17(18)20-23-24-21(28-20)19(26)22-15-9-11-16(12-10-15)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26)
InChIKeyHRRBYIYGZLOPPK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.99
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide

5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391797) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391797
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1
InChIInChI=1S/C21H22N4O3/c1-27-18-8-4-3-7-17(18)20-23-24-21(28-20)19(26)22-15-9-11-16(12-10-15)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26)
InChIKeyHRRBYIYGZLOPPK-UHFFFAOYSA-N
XLogP3.99
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391798
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391791
5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391990
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-piperidin-1-ylaniline
CID 110652691
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
CID 4314408
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391797) is 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1-c1nnc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HRRBYIYGZLOPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-8-4-3-7-17(18)20-23-24-21(28-20)19(26)22-15-9-11-16(12-10-15)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26).
What are the key properties of 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).