(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

C20H35N3O2 — CID 141073401

IUPAC(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
SMILESCC(C)[C@H]1COC(C(CCN2CCCCC2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C20H35N3O2/c1-14(2)17-12-24-19(21-17)16(8-11-23-9-6-5-7-10-23)20-22-18(13-25-20)15(3)4/h14-18H,5-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyOJHUSULIZJXGJY-QZTJIDSGSA-N
MW349.52 g/mol
LogP3.39
Rot. Bonds7

About (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

(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 (PubChem CID 141073401) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID141073401
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name(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
SMILESCC(C)[C@H]1COC(C(CCN2CCCCC2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C20H35N3O2/c1-14(2)17-12-24-19(21-17)16(8-11-23-9-6-5-7-10-23)20-22-18(13-25-20)15(3)4/h14-18H,5-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyOJHUSULIZJXGJY-QZTJIDSGSA-N
XLogP3.39
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@H]1COC(C(CCN2CCCCC2)C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (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?
The InChIKey is OJHUSULIZJXGJY-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-14(2)17-12-24-19(21-17)16(8-11-23-9-6-5-7-10-23)20-22-18(13-25-20)15(3)4/h14-18H,5-13H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 349.52 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 141073401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).