5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C15H17N3O2 — CID 2963490

IUPAC5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(-c3ccco3)nc2C#N)C1
InChIInChI=1S/C15H17N3O2/c1-10-6-11(2)9-18(8-10)15-12(7-16)17-14(20-15)13-4-3-5-19-13/h3-5,10-11H,6,8-9H2,1-2H3
InChIKeyAMVIYBUBHKBEIY-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.29
Rot. Bonds2

About 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 2963490) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID2963490
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(-c3ccco3)nc2C#N)C1
InChIInChI=1S/C15H17N3O2/c1-10-6-11(2)9-18(8-10)15-12(7-16)17-14(20-15)13-4-3-5-19-13/h3-5,10-11H,6,8-9H2,1-2H3
InChIKeyAMVIYBUBHKBEIY-UHFFFAOYSA-N
XLogP3.29
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 2963490) is 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is CC1CC(C)CN(c2oc(-c3ccco3)nc2C#N)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is AMVIYBUBHKBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-11(2)9-18(8-10)15-12(7-16)17-14(20-15)13-4-3-5-19-13/h3-5,10-11H,6,8-9H2,1-2H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2963490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).