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

C20H30N2O — CID 141073402

IUPAC(4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CCC[C@H]2COC(CCCN3CCCCC3)=N2)cc1
InChIInChI=1S/C20H30N2O/c1-3-9-18(10-4-1)11-7-12-19-17-23-20(21-19)13-8-16-22-14-5-2-6-15-22/h1,3-4,9-10,19H,2,5-8,11-17H2/t19-/m0/s1
InChIKeySFOWBWBFHVAIMJ-IBGZPJMESA-N
MW314.47 g/mol
LogP4.07
Rot. Bonds8

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

(4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 141073402) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID141073402
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CCC[C@H]2COC(CCCN3CCCCC3)=N2)cc1
InChIInChI=1S/C20H30N2O/c1-3-9-18(10-4-1)11-7-12-19-17-23-20(21-19)13-8-16-22-14-5-2-6-15-22/h1,3-4,9-10,19H,2,5-8,11-17H2/t19-/m0/s1
InChIKeySFOWBWBFHVAIMJ-IBGZPJMESA-N
XLogP4.07
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole (CID 141073402) is (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole is c1ccc(CCC[C@H]2COC(CCCN3CCCCC3)=N2)cc1.
What is the InChIKey of (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SFOWBWBFHVAIMJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N2O/c1-3-9-18(10-4-1)11-7-12-19-17-23-20(21-19)13-8-16-22-14-5-2-6-15-22/h1,3-4,9-10,19H,2,5-8,11-17H2/t19-/m0/s1.
What are the key properties of (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 314.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-phenylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 141073402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).