(4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C14H26N2O — CID 141073400

IUPAC(4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CCCN2CCCCC2)=N1
InChIInChI=1S/C14H26N2O/c1-12(2)13-11-17-14(15-13)7-6-10-16-8-4-3-5-9-16/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyCSPILKFFSGVGEN-CYBMUJFWSA-N
MW238.37 g/mol
LogP2.71
Rot. Bonds5

About (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 141073400) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID141073400
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CCCN2CCCCC2)=N1
InChIInChI=1S/C14H26N2O/c1-12(2)13-11-17-14(15-13)7-6-10-16-8-4-3-5-9-16/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyCSPILKFFSGVGEN-CYBMUJFWSA-N
XLogP2.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 141073400) is (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(CCCN2CCCCC2)=N1.
What is the InChIKey of (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is CSPILKFFSGVGEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)13-11-17-14(15-13)7-6-10-16-8-4-3-5-9-16/h12-13H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 238.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 141073400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).