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

C19H22N4O3 — CID 53155224

IUPAC2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(C)cc(-c3nnc(C)o3)c2C)cc1
InChIInChI=1S/C19H22N4O3/c1-12-9-17(19-22-21-14(3)26-19)13(2)23(12)11-18(24)20-10-15-5-7-16(25-4)8-6-15/h5-9H,10-11H2,1-4H3,(H,20,24)
InChIKeyQTNBJAHTVCVJPT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.79
Rot. Bonds6

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

2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 53155224) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID53155224
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(C)cc(-c3nnc(C)o3)c2C)cc1
InChIInChI=1S/C19H22N4O3/c1-12-9-17(19-22-21-14(3)26-19)13(2)23(12)11-18(24)20-10-15-5-7-16(25-4)8-6-15/h5-9H,10-11H2,1-4H3,(H,20,24)
InChIKeyQTNBJAHTVCVJPT-UHFFFAOYSA-N
XLogP2.79
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 53155224) is 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2c(C)cc(-c3nnc(C)o3)c2C)cc1.
What is the InChIKey of 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QTNBJAHTVCVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-9-17(19-22-21-14(3)26-19)13(2)23(12)11-18(24)20-10-15-5-7-16(25-4)8-6-15/h5-9H,10-11H2,1-4H3,(H,20,24).
What are the key properties of 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53155224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).