[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone

C18H18N2O3 — CID 47026887

IUPAC[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C18H18N2O3/c1-12-8-10-22-16(12)18(21)20-9-4-5-13(11-20)17-19-14-6-2-3-7-15(14)23-17/h2-3,6-8,10,13H,4-5,9,11H2,1H3
InChIKeyWUTPQPJZNRDJHL-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.75
Rot. Bonds2

About [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone

[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 47026887) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID47026887
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C18H18N2O3/c1-12-8-10-22-16(12)18(21)20-9-4-5-13(11-20)17-19-14-6-2-3-7-15(14)23-17/h2-3,6-8,10,13H,4-5,9,11H2,1H3
InChIKeyWUTPQPJZNRDJHL-UHFFFAOYSA-N
XLogP3.75
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
CID 146075115
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170506177
5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 77092250
1-[5-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 38316652
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 34738091
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone
CID 146080671

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone (CID 47026887) is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is WUTPQPJZNRDJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-8-10-22-16(12)18(21)20-9-4-5-13(11-20)17-19-14-6-2-3-7-15(14)23-17/h2-3,6-8,10,13H,4-5,9,11H2,1H3.
What are the key properties of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 310.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 47026887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).