(4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole

C14H26N2O — CID 25027201

IUPAC(4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(CCN2CCCCC2)=N1
InChIInChI=1S/C14H26N2O/c1-12(2)10-13-11-17-14(15-13)6-9-16-7-4-3-5-8-16/h12-13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyJPUJDTHTXQNUAG-ZDUSSCGKSA-N
MW238.37 g/mol
LogP2.71
Rot. Bonds5

About (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole

(4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 25027201) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID25027201
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(CCN2CCCCC2)=N1
InChIInChI=1S/C14H26N2O/c1-12(2)10-13-11-17-14(15-13)6-9-16-7-4-3-5-8-16/h12-13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyJPUJDTHTXQNUAG-ZDUSSCGKSA-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)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole (CID 25027201) is (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole is CC(C)C[C@H]1COC(CCN2CCCCC2)=N1.
What is the InChIKey of (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JPUJDTHTXQNUAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)10-13-11-17-14(15-13)6-9-16-7-4-3-5-8-16/h12-13H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-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)-4-(2-methylpropyl)-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 25027201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).