[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone

C17H16N2O3S — CID 71786870

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H16N2O3S/c20-17(13-11-15(22-18-13)14-3-1-9-21-14)19-7-5-12(6-8-19)16-4-2-10-23-16/h1-4,9-12H,5-8H2
InChIKeyMEVFALQQWKHQHT-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.02
Rot. Bonds3

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone (PubChem CID 71786870) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
PubChem CID71786870
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H16N2O3S/c20-17(13-11-15(22-18-13)14-3-1-9-21-14)19-7-5-12(6-8-19)16-4-2-10-23-16/h1-4,9-12H,5-8H2
InChIKeyMEVFALQQWKHQHT-UHFFFAOYSA-N
XLogP4.02
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone (CID 71786870) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone is O=C(c1cc(-c2ccco2)on1)N1CCC(c2cccs2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The InChIKey is MEVFALQQWKHQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-17(13-11-15(22-18-13)14-3-1-9-21-14)19-7-5-12(6-8-19)16-4-2-10-23-16/h1-4,9-12H,5-8H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone has a molecular weight of 328.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).