1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

C19H21N3O3 — CID 2548079

IUPAC1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESCCCn1c(C)cc(C(=O)COc2ccc(-c3nnco3)cc2)c1C
InChIInChI=1S/C19H21N3O3/c1-4-9-22-13(2)10-17(14(22)3)18(23)11-24-16-7-5-15(6-8-16)19-21-20-12-25-19/h5-8,10,12H,4,9,11H2,1-3H3
InChIKeyNLTAPVVYKCEZDS-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.83
Rot. Bonds7

About 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (PubChem CID 2548079) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
PubChem CID2548079
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESCCCn1c(C)cc(C(=O)COc2ccc(-c3nnco3)cc2)c1C
InChIInChI=1S/C19H21N3O3/c1-4-9-22-13(2)10-17(14(22)3)18(23)11-24-16-7-5-15(6-8-16)19-21-20-12-25-19/h5-8,10,12H,4,9,11H2,1-3H3
InChIKeyNLTAPVVYKCEZDS-UHFFFAOYSA-N
XLogP3.83
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (CID 2548079) is 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is CCCn1c(C)cc(C(=O)COc2ccc(-c3nnco3)cc2)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The InChIKey is NLTAPVVYKCEZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-9-22-13(2)10-17(14(22)3)18(23)11-24-16-7-5-15(6-8-16)19-21-20-12-25-19/h5-8,10,12H,4,9,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone has a molecular weight of 339.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is sourced from PubChem (CID 2548079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).