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

C22H25N3O2 — CID 16747359

IUPAC1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one
SMILESO=C(CCCC1CCN(Cc2cnc3ccccc3c2)CC1)c1ncco1
InChIInChI=1S/C22H25N3O2/c26-21(22-23-10-13-27-22)7-3-4-17-8-11-25(12-9-17)16-18-14-19-5-1-2-6-20(19)24-15-18/h1-2,5-6,10,13-15,17H,3-4,7-9,11-12,16H2
InChIKeyVNNDDMAYPHEXMU-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.49
Rot. Bonds7

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

1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one (PubChem CID 16747359) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one
PubChem CID16747359
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one
SMILESO=C(CCCC1CCN(Cc2cnc3ccccc3c2)CC1)c1ncco1
InChIInChI=1S/C22H25N3O2/c26-21(22-23-10-13-27-22)7-3-4-17-8-11-25(12-9-17)16-18-14-19-5-1-2-6-20(19)24-15-18/h1-2,5-6,10,13-15,17H,3-4,7-9,11-12,16H2
InChIKeyVNNDDMAYPHEXMU-UHFFFAOYSA-N
XLogP4.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one?
The IUPAC name of 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one (CID 16747359) is 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one?
The canonical SMILES for 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one is O=C(CCCC1CCN(Cc2cnc3ccccc3c2)CC1)c1ncco1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one?
The InChIKey is VNNDDMAYPHEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(22-23-10-13-27-22)7-3-4-17-8-11-25(12-9-17)16-18-14-19-5-1-2-6-20(19)24-15-18/h1-2,5-6,10,13-15,17H,3-4,7-9,11-12,16H2.
What are the key properties of 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one?
1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one has a molecular weight of 363.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one is sourced from PubChem (CID 16747359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).