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

C22H30N2O2 — CID 90667401

IUPAC3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCCCC1)CC2
InChIInChI=1S/C22H30N2O2/c1-16-22(17(2)26-23-16)19-8-7-18-9-10-21(20(18)15-19)25-14-6-13-24-11-4-3-5-12-24/h7-8,15,21H,3-6,9-14H2,1-2H3
InChIKeyUQVPGYSXWRNIIG-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.84
Rot. Bonds6

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

3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole (PubChem CID 90667401) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
PubChem CID90667401
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCCCC1)CC2
InChIInChI=1S/C22H30N2O2/c1-16-22(17(2)26-23-16)19-8-7-18-9-10-21(20(18)15-19)25-14-6-13-24-11-4-3-5-12-24/h7-8,15,21H,3-6,9-14H2,1-2H3
InChIKeyUQVPGYSXWRNIIG-UHFFFAOYSA-N
XLogP4.84
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol
CID 72684073
8-(3,5-dimethyl-1,2-oxazol-4-yl)-6-phenyl-3,4,6,10b-tetrahydro-2H-[1,3]oxazino[2,3-a]isoindole
CID 137652287
9-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 90240249
3,5-dimethyl-4-(3-phenylmethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole
CID 90667398
3,5-dimethyl-4-[3-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
CID 90667400
4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]propyl]morpholine
CID 90667402
3,5-dimethyl-4-[3-(3-piperazin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole
CID 90667403
US9963444, Example 101
CID 118524735
3,5-Dimethyl-4-[(1-methylpiperidin-4-ylidene)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
CID 44457576
3,5-Dimethyl-4-[(1-methylpiperidin-3-yl)oxy-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
CID 44457775
3,5-Dimethyl-4-[piperidin-4-yloxy-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
CID 44457865
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one
CID 90667395

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole (CID 90667401) is 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1ccc2c(c1)C(OCCCN1CCCCC1)CC2.
What is the InChIKey of 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
The InChIKey is UQVPGYSXWRNIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-22(17(2)26-23-16)19-8-7-18-9-10-21(20(18)15-19)25-14-6-13-24-11-4-3-5-12-24/h7-8,15,21H,3-6,9-14H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole has a molecular weight of 354.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-inden-5-yl]-1,2-oxazole is sourced from PubChem (CID 90667401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).