1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one

C18H25N3O2 — CID 71021026

IUPAC1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one
SMILESO=C(CCCC1CCN(Cc2cccnc2)CC1)C1=NCCO1
InChIInChI=1S/C18H25N3O2/c22-17(18-20-9-12-23-18)5-1-3-15-6-10-21(11-7-15)14-16-4-2-8-19-13-16/h2,4,8,13,15H,1,3,5-7,9-12,14H2
InChIKeyAOYPVMDKZRAWJR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.46
Rot. Bonds7

About 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one

1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one (PubChem CID 71021026) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one
PubChem CID71021026
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one
SMILESO=C(CCCC1CCN(Cc2cccnc2)CC1)C1=NCCO1
InChIInChI=1S/C18H25N3O2/c22-17(18-20-9-12-23-18)5-1-3-15-6-10-21(11-7-15)14-16-4-2-8-19-13-16/h2,4,8,13,15H,1,3,5-7,9-12,14H2
InChIKeyAOYPVMDKZRAWJR-UHFFFAOYSA-N
XLogP2.46
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one?
The IUPAC name of 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one (CID 71021026) is 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one.
What is the SMILES notation for 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one?
The canonical SMILES for 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one is O=C(CCCC1CCN(Cc2cccnc2)CC1)C1=NCCO1.
What is the InChIKey of 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one?
The InChIKey is AOYPVMDKZRAWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(18-20-9-12-23-18)5-1-3-15-6-10-21(11-7-15)14-16-4-2-8-19-13-16/h2,4,8,13,15H,1,3,5-7,9-12,14H2.
What are the key properties of 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one?
1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one has a molecular weight of 315.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-oxazol-2-yl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butan-1-one is sourced from PubChem (CID 71021026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).