5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride

C19H24ClN3O3 — CID 70206248

IUPAC5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCCCC=C1OC(=O)N(CCCCCc2cccc3nccn23)C1=O.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-3-10-16-18(23)22(19(24)25-16)13-6-4-5-8-15-9-7-11-17-20-12-14-21(15)17;/h7,9-12,14H,2-6,8,13H2,1H3;1H
InChIKeyCPAVHIKINOHRQC-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.13
Rot. Bonds8

About 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride

5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride (PubChem CID 70206248) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride
PubChem CID70206248
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCCCC=C1OC(=O)N(CCCCCc2cccc3nccn23)C1=O.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-3-10-16-18(23)22(19(24)25-16)13-6-4-5-8-15-9-7-11-17-20-12-14-21(15)17;/h7,9-12,14H,2-6,8,13H2,1H3;1H
InChIKeyCPAVHIKINOHRQC-UHFFFAOYSA-N
XLogP4.13
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride 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 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride (CID 70206248) is 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride is CCCC=C1OC(=O)N(CCCCCc2cccc3nccn23)C1=O.Cl.
What is the InChIKey of 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The InChIKey is CPAVHIKINOHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-2-3-10-16-18(23)22(19(24)25-16)13-6-4-5-8-15-9-7-11-17-20-12-14-21(15)17;/h7,9-12,14H,2-6,8,13H2,1H3;1H.
What are the key properties of 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylidene-3-(5-imidazo[1,2-a]pyridin-5-ylpentyl)-1,3-oxazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 70206248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).