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

C13H24N2O — CID 25027202

IUPAC(4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CCN2CCCCC2)=N1
InChIInChI=1S/C13H24N2O/c1-11(2)12-10-16-13(14-12)6-9-15-7-4-3-5-8-15/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyQCXJGKAAECBGGP-GFCCVEGCSA-N
MW224.35 g/mol
LogP2.32
Rot. Bonds4

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

(4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 25027202) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID25027202
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CCN2CCCCC2)=N1
InChIInChI=1S/C13H24N2O/c1-11(2)12-10-16-13(14-12)6-9-15-7-4-3-5-8-15/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyQCXJGKAAECBGGP-GFCCVEGCSA-N
XLogP2.32
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-Dimethyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
CID 10176302
1-[2-(4s)-4-i-Butyl-4,5-dihydrooxazol-2-ylethyl]piperidine
CID 25027201
2-Ethyl-8-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
CID 15291736
3-Methyl-9-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 68051737
5-methyl-2-propan-2-yl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[4,5-c]pyridine
CID 89194098
(4S)-4-(2-methylpropyl)-2-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-oxazole
CID 141073399
(4S)-2-(3-piperidin-1-ylpropyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 141073400
(4S)-2-[3-piperidin-1-yl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 141073401
(4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 141245459
2-(1-Methylpiperidin-4-yl)-4,5-dihydro-1,3-oxazole
CID 161613166
5-propan-2-yl-3,4-dihydro-2H-pyrrole;4-propan-2-ylmorpholine
CID 161978683
2-(1-Ethylpiperidin-4-yl)-4,5-dihydro-1,3-oxazole
CID 166075616

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 25027202) is (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(CCN2CCCCC2)=N1.
What is the InChIKey of (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is QCXJGKAAECBGGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)12-10-16-13(14-12)6-9-15-7-4-3-5-8-15/h11-12H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 224.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-piperidin-1-ylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 25027202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).