2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C21H22N4O2 — CID 110424869

IUPAC2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccccc1-c1noc(CC(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C21H22N4O2/c1-15-6-2-3-7-18(15)21-23-20(27-24-21)14-19(26)22-16-8-10-17(11-9-16)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26)
InChIKeyOLYGIZNARQUYJQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.83
Rot. Bonds5

About 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110424869) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110424869
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccccc1-c1noc(CC(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C21H22N4O2/c1-15-6-2-3-7-18(15)21-23-20(27-24-21)14-19(26)22-16-8-10-17(11-9-16)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26)
InChIKeyOLYGIZNARQUYJQ-UHFFFAOYSA-N
XLogP3.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110607909
N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608142
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100761853
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110427087
3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 55628364
N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39995844
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
1-(4-chlorophenyl)-3-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323647

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110424869) is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is Cc1ccccc1-c1noc(CC(=O)Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is OLYGIZNARQUYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-2-3-7-18(15)21-23-20(27-24-21)14-19(26)22-16-8-10-17(11-9-16)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26).
What are the key properties of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110424869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).