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

C17H24N2O — CID 25027204

IUPAC(4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(CCN3CCCCC3)=N2)cc1
InChIInChI=1S/C17H24N2O/c1-3-7-15(8-4-1)13-16-14-20-17(18-16)9-12-19-10-5-2-6-11-19/h1,3-4,7-8,16H,2,5-6,9-14H2/t16-/m0/s1
InChIKeyCVOCQPLULGKWAN-INIZCTEOSA-N
MW272.39 g/mol
LogP2.90
Rot. Bonds5

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

(4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 25027204) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID25027204
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(CCN3CCCCC3)=N2)cc1
InChIInChI=1S/C17H24N2O/c1-3-7-15(8-4-1)13-16-14-20-17(18-16)9-12-19-10-5-2-6-11-19/h1,3-4,7-8,16H,2,5-6,9-14H2/t16-/m0/s1
InChIKeyCVOCQPLULGKWAN-INIZCTEOSA-N
XLogP2.90
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-Phenylpropoxy)propyl]piperidine
CID 9903343
AG-H-02521
CID 5325154
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
Sdccgsbi-0662800.P001
CID 134789872
3-Benzyl-8-(oxetan-3-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134790412
2-Morpholino-3-phenylpropan-1-ol
CID 73804103
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000
2,2-Bis[(4S)-4-benzyl-2-oxazolin-2-yl]propane
CID 11125615
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
1-[2-(4s)-4-Phenyl-4,5-dihydrooxazol-2-ylethyl]piperidine
CID 25027203

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole (CID 25027204) is (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(CCN3CCCCC3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CVOCQPLULGKWAN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-7-15(8-4-1)13-16-14-20-17(18-16)9-12-19-10-5-2-6-11-19/h1,3-4,7-8,16H,2,5-6,9-14H2/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 272.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-(2-piperidin-1-ylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 25027204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).