5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C16H17N3O4 — CID 154857998

IUPAC5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(C1COc2ccccc21)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C16H17N3O4/c20-15(12-9-22-13-4-2-1-3-11(12)13)19-7-5-10(6-8-19)14-17-18-16(21)23-14/h1-4,10,12H,5-9H2,(H,18,21)
InChIKeyJDRTZGHQSKIEMY-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.25
Rot. Bonds2

About 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 154857998) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID154857998
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(C1COc2ccccc21)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C16H17N3O4/c20-15(12-9-22-13-4-2-1-3-11(12)13)19-7-5-10(6-8-19)14-17-18-16(21)23-14/h1-4,10,12H,5-9H2,(H,18,21)
InChIKeyJDRTZGHQSKIEMY-UHFFFAOYSA-N
XLogP1.25
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154834014
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 136525380
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167762311
2,3-dihydro-1-benzofuran-3-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304370
5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154848200
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124512887
5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866683
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 98346719
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511664
5-[1-(4-methyl-2,3-dihydro-1,4-benzoxazine-8-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 166262980
5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154873486
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 154857998) is 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is O=C(C1COc2ccccc21)N1CCC(c2n[nH]c(=O)o2)CC1.
What is the InChIKey of 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is JDRTZGHQSKIEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(12-9-22-13-4-2-1-3-11(12)13)19-7-5-10(6-8-19)14-17-18-16(21)23-14/h1-4,10,12H,5-9H2,(H,18,21).
What are the key properties of 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 315.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154857998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).