2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile

C11H13F2N3O — CID 118297276

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile
SMILESCc1ncoc1C(C#N)N1CCC(F)(F)CC1
InChIInChI=1S/C11H13F2N3O/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-5H2,1H3
InChIKeyUZAPDGUFINHEBW-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.28
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile (PubChem CID 118297276) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile
PubChem CID118297276
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile
SMILESCc1ncoc1C(C#N)N1CCC(F)(F)CC1
InChIInChI=1S/C11H13F2N3O/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-5H2,1H3
InChIKeyUZAPDGUFINHEBW-UHFFFAOYSA-N
XLogP2.28
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile (CID 118297276) is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile is Cc1ncoc1C(C#N)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile?
The InChIKey is UZAPDGUFINHEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile has a molecular weight of 241.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile is sourced from PubChem (CID 118297276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).