N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

C19H22N4O4 — CID 53155231

IUPACN-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(C)cc(-c3nnc(C)o3)c2C)c1
InChIInChI=1S/C19H22N4O4/c1-11-8-15(19-22-21-13(3)27-19)12(2)23(11)10-18(24)20-16-9-14(25-4)6-7-17(16)26-5/h6-9H,10H2,1-5H3,(H,20,24)
InChIKeyABDJSQWMIUZBCQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.12
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53155231) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53155231
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(C)cc(-c3nnc(C)o3)c2C)c1
InChIInChI=1S/C19H22N4O4/c1-11-8-15(19-22-21-13(3)27-19)12(2)23(11)10-18(24)20-16-9-14(25-4)6-7-17(16)26-5/h6-9H,10H2,1-5H3,(H,20,24)
InChIKeyABDJSQWMIUZBCQ-UHFFFAOYSA-N
XLogP3.12
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53155231) is N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2c(C)cc(-c3nnc(C)o3)c2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is ABDJSQWMIUZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-8-15(19-22-21-13(3)27-19)12(2)23(11)10-18(24)20-16-9-14(25-4)6-7-17(16)26-5/h6-9H,10H2,1-5H3,(H,20,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53155231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).