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

C15H28N2O — CID 141073399

IUPAC(4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(CCCN2CCCCC2)=N1
InChIInChI=1S/C15H28N2O/c1-13(2)11-14-12-18-15(16-14)7-6-10-17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3/t14-/m0/s1
InChIKeyGLKDWDCTHUAENL-AWEZNQCLSA-N
MW252.40 g/mol
LogP3.10
Rot. Bonds6

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

(4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 141073399) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID141073399
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(CCCN2CCCCC2)=N1
InChIInChI=1S/C15H28N2O/c1-13(2)11-14-12-18-15(16-14)7-6-10-17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3/t14-/m0/s1
InChIKeyGLKDWDCTHUAENL-AWEZNQCLSA-N
XLogP3.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.10
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-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole (CID 141073399) is (4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole is CC(C)C[C@H]1COC(CCCN2CCCCC2)=N1.
What is the InChIKey of (4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GLKDWDCTHUAENL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)11-14-12-18-15(16-14)7-6-10-17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 252.40 g/mol, XLogP of 3.10, 6 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-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 141073399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).