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

C16H22N2O — CID 25027203

IUPAC(4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(CCN3CCCCC3)=N2)cc1
InChIInChI=1S/C16H22N2O/c1-3-7-14(8-4-1)15-13-19-16(17-15)9-12-18-10-5-2-6-11-18/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m1/s1
InChIKeyUHGCNKBRHFTNHM-OAHLLOKOSA-N
MW258.37 g/mol
LogP3.03
Rot. Bonds4

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

(4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 25027203) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID25027203
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(CCN3CCCCC3)=N2)cc1
InChIInChI=1S/C16H22N2O/c1-3-7-14(8-4-1)15-13-19-16(17-15)9-12-18-10-5-2-6-11-18/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m1/s1
InChIKeyUHGCNKBRHFTNHM-OAHLLOKOSA-N
XLogP3.03
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole (CID 25027203) is (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(CCN3CCCCC3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UHGCNKBRHFTNHM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-7-14(8-4-1)15-13-19-16(17-15)9-12-18-10-5-2-6-11-18/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 258.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 25027203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).