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

C20H24N4O3 — CID 53155251

IUPAC2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1nnc(-c2cc(C)n(CC(=O)NCc3ccc(OC)cc3)c2C)o1
InChIInChI=1S/C20H24N4O3/c1-5-19-22-23-20(27-19)17-10-13(2)24(14(17)3)12-18(25)21-11-15-6-8-16(26-4)9-7-15/h6-10H,5,11-12H2,1-4H3,(H,21,25)
InChIKeyWPJVUMOVXYMJGF-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.04
Rot. Bonds7

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

2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 53155251) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID53155251
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1nnc(-c2cc(C)n(CC(=O)NCc3ccc(OC)cc3)c2C)o1
InChIInChI=1S/C20H24N4O3/c1-5-19-22-23-20(27-19)17-10-13(2)24(14(17)3)12-18(25)21-11-15-6-8-16(26-4)9-7-15/h6-10H,5,11-12H2,1-4H3,(H,21,25)
InChIKeyWPJVUMOVXYMJGF-UHFFFAOYSA-N
XLogP3.04
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 2402326
5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide
CID 12005041
5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(6-oxo-1H-pyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide
CID 164628607
5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide
CID 164637646
Ethyl 5-(4-fluorophenyl)-1-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 5006164
2-{5,7-Dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}-N-[2-(4-ethoxyphenyl)ethyl]acetamide
CID 16012499
1-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 17544853
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137289
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 53155221
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155222
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
CID 53155223
N-[(4-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine
CID 90671397

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 53155251) is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is CCc1nnc(-c2cc(C)n(CC(=O)NCc3ccc(OC)cc3)c2C)o1.
What is the InChIKey of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is WPJVUMOVXYMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-19-22-23-20(27-19)17-10-13(2)24(14(17)3)12-18(25)21-11-15-6-8-16(26-4)9-7-15/h6-10H,5,11-12H2,1-4H3,(H,21,25).
What are the key properties of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53155251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).