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

C20H20N4O3 — CID 110391990

IUPAC5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccc(N4CCCC4)cc3)o2)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-6-4-5-14(13-17)19-22-23-20(27-19)18(25)21-15-7-9-16(10-8-15)24-11-2-3-12-24/h4-10,13H,2-3,11-12H2,1H3,(H,21,25)
InChIKeyAHBQYDMBUZGHNJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.60
Rot. Bonds5

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

5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391990) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391990
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccc(N4CCCC4)cc3)o2)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-6-4-5-14(13-17)19-22-23-20(27-19)18(25)21-15-7-9-16(10-8-15)24-11-2-3-12-24/h4-10,13H,2-3,11-12H2,1H3,(H,21,25)
InChIKeyAHBQYDMBUZGHNJ-UHFFFAOYSA-N
XLogP3.60
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.60
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

N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391988
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrrolidin-1-ylaniline
CID 110652866
5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391797
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
5-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110392029
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391990) is 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1cccc(-c2nnc(C(=O)Nc3ccc(N4CCCC4)cc3)o2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AHBQYDMBUZGHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-6-4-5-14(13-17)19-22-23-20(27-19)18(25)21-15-7-9-16(10-8-15)24-11-2-3-12-24/h4-10,13H,2-3,11-12H2,1H3,(H,21,25).
What are the key properties of 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).