1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone

C16H19N3O3 — CID 75505821

IUPAC1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C16H19N3O3/c1-10(20)13-7-6-12(19(2)3)8-14(13)21-9-15-17-16(22-18-15)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3
InChIKeyGKSDKBHJDFVIRI-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone

1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone (PubChem CID 75505821) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone
PubChem CID75505821
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C16H19N3O3/c1-10(20)13-7-6-12(19(2)3)8-14(13)21-9-15-17-16(22-18-15)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3
InChIKeyGKSDKBHJDFVIRI-UHFFFAOYSA-N
XLogP2.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]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-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone (CID 75505821) is 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone is CC(=O)c1ccc(N(C)C)cc1OCc1noc(C2CC2)n1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
The InChIKey is GKSDKBHJDFVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(20)13-7-6-12(19(2)3)8-14(13)21-9-15-17-16(22-18-15)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3.
What are the key properties of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 75505821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).