4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine

C21H28N2O3 — CID 90667402

IUPAC4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine
SMILESCc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCOCC1)CC2
InChIInChI=1S/C21H28N2O3/c1-15-21(16(2)26-22-15)18-5-4-17-6-7-20(19(17)14-18)25-11-3-8-23-9-12-24-13-10-23/h4-5,14,20H,3,6-13H2,1-2H3
InChIKeyLXBJSSDJAGOMTP-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.68
Rot. Bonds6

About 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine

4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine (PubChem CID 90667402) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine
PubChem CID90667402
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine
SMILESCc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCOCC1)CC2
InChIInChI=1S/C21H28N2O3/c1-15-21(16(2)26-22-15)18-5-4-17-6-7-20(19(17)14-18)25-11-3-8-23-9-12-24-13-10-23/h4-5,14,20H,3,6-13H2,1-2H3
InChIKeyLXBJSSDJAGOMTP-UHFFFAOYSA-N
XLogP3.68
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine?
The IUPAC name of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine (CID 90667402) is 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine is Cc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCOCC1)CC2.
What is the InChIKey of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine?
The InChIKey is LXBJSSDJAGOMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-21(16(2)26-22-15)18-5-4-17-6-7-20(19(17)14-18)25-11-3-8-23-9-12-24-13-10-23/h4-5,14,20H,3,6-13H2,1-2H3.
What are the key properties of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine?
4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine has a molecular weight of 356.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine is sourced from PubChem (CID 90667402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).