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

C16H19N3O2 — CID 91917581

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-2-4-12(5-3-11)10-15(20)17-9-8-14-18-16(21-19-14)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyOEQJOSCCEBTUQK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.16
Rot. Bonds6

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 91917581) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID91917581
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-2-4-12(5-3-11)10-15(20)17-9-8-14-18-16(21-19-14)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyOEQJOSCCEBTUQK-UHFFFAOYSA-N
XLogP2.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 131949110
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91907182
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 91917592
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 77087696
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 86286464
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90649792
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97109779
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121494301
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 91917595

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide (CID 91917581) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCc2noc(C3CC3)n2)cc1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is OEQJOSCCEBTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-2-4-12(5-3-11)10-15(20)17-9-8-14-18-16(21-19-14)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 91917581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).