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

C20H22N4O3 — CID 53155544

IUPAC2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)cc(-c3nc(C4CC4)no3)c2C)cc1
InChIInChI=1S/C20H22N4O3/c1-12-10-17(20-22-19(23-27-20)14-4-5-14)13(2)24(12)11-18(25)21-15-6-8-16(26-3)9-7-15/h6-10,14H,4-5,11H2,1-3H3,(H,21,25)
InChIKeyQCPNGQIGSNUOND-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.68
Rot. Bonds6

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

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 53155544) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID53155544
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)cc(-c3nc(C4CC4)no3)c2C)cc1
InChIInChI=1S/C20H22N4O3/c1-12-10-17(20-22-19(23-27-20)14-4-5-14)13(2)24(12)11-18(25)21-15-6-8-16(26-3)9-7-15/h6-10,14H,4-5,11H2,1-3H3,(H,21,25)
InChIKeyQCPNGQIGSNUOND-UHFFFAOYSA-N
XLogP3.68
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 53155552
2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 53154189
2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 50831857
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53155334
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 51369422
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide
CID 53155331
2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179360
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 53155544) is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(C)cc(-c3nc(C4CC4)no3)c2C)cc1.
What is the InChIKey of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is QCPNGQIGSNUOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-10-17(20-22-19(23-27-20)14-4-5-14)13(2)24(12)11-18(25)21-15-6-8-16(26-3)9-7-15/h6-10,14H,4-5,11H2,1-3H3,(H,21,25).
What are the key properties of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53155544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).