3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole

C21H29N3O2 — CID 90667403

IUPAC3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCNCC1)CC2
InChIInChI=1S/C21H29N3O2/c1-15-21(16(2)26-23-15)18-5-4-17-6-7-20(19(17)14-18)25-13-3-10-24-11-8-22-9-12-24/h4-5,14,20,22H,3,6-13H2,1-2H3
InChIKeyULKDVIGHPGCRJB-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.26
Rot. Bonds6

About 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole

3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole (PubChem CID 90667403) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
PubChem CID90667403
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCNCC1)CC2
InChIInChI=1S/C21H29N3O2/c1-15-21(16(2)26-23-15)18-5-4-17-6-7-20(19(17)14-18)25-13-3-10-24-11-8-22-9-12-24/h4-5,14,20,22H,3,6-13H2,1-2H3
InChIKeyULKDVIGHPGCRJB-UHFFFAOYSA-N
XLogP3.26
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole 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 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole (CID 90667403) is 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCNCC1)CC2.
What is the InChIKey of 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
The InChIKey is ULKDVIGHPGCRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-21(16(2)26-23-15)18-5-4-17-6-7-20(19(17)14-18)25-13-3-10-24-11-8-22-9-12-24/h4-5,14,20,22H,3,6-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole has a molecular weight of 355.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole is sourced from PubChem (CID 90667403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).