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

C14H16N2O3 — CID 4609473

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C14H16N2O3/c1-10-4-6-16(7-5-10)14(17)11-9-13(19-15-11)12-3-2-8-18-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVCAQFWXLGCCEEJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.81
Rot. Bonds2

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

[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 4609473) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID4609473
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C14H16N2O3/c1-10-4-6-16(7-5-10)14(17)11-9-13(19-15-11)12-3-2-8-18-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVCAQFWXLGCCEEJ-UHFFFAOYSA-N
XLogP2.81
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 4609473) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VCAQFWXLGCCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-4-6-16(7-5-10)14(17)11-9-13(19-15-11)12-3-2-8-18-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4609473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).