furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C17H17N5O3 — CID 99964034

IUPACfuran-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3ccco3)C2)o1
InChIInChI=1S/C17H17N5O3/c1-11-13(8-18-10-19-11)16-21-20-15(25-16)12-4-2-6-22(9-12)17(23)14-5-3-7-24-14/h3,5,7-8,10,12H,2,4,6,9H2,1H3/t12-/m1/s1
InChIKeyUJFHHKYVEKHVBD-GFCCVEGCSA-N
MW339.36 g/mol
LogP2.45
Rot. Bonds3

About furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 99964034) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID99964034
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Namefuran-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3ccco3)C2)o1
InChIInChI=1S/C17H17N5O3/c1-11-13(8-18-10-19-11)16-21-20-15(25-16)12-4-2-6-22(9-12)17(23)14-5-3-7-24-14/h3,5,7-8,10,12H,2,4,6,9H2,1H3/t12-/m1/s1
InChIKeyUJFHHKYVEKHVBD-GFCCVEGCSA-N
XLogP2.45
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99964038
[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 132652159
furan-2-yl-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132651795
furan-2-yl-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863498
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99963998
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 56728046
furan-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110225724
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593
1-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964051

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 99964034) is furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3ccco3)C2)o1.
What is the InChIKey of furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is UJFHHKYVEKHVBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-13(8-18-10-19-11)16-21-20-15(25-16)12-4-2-6-22(9-12)17(23)14-5-3-7-24-14/h3,5,7-8,10,12H,2,4,6,9H2,1H3/t12-/m1/s1.
What are the key properties of furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 99964034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).