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

C12H15F2N3O — CID 118297242

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile
SMILESCc1nc(C)c(C(C#N)N2CCC(F)(F)CC2)o1
InChIInChI=1S/C12H15F2N3O/c1-8-11(18-9(2)16-8)10(7-15)17-5-3-12(13,14)4-6-17/h10H,3-6H2,1-2H3
InChIKeyMKAWIPJRPKGSMU-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.59
Rot. Bonds2

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

2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile (PubChem CID 118297242) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile
PubChem CID118297242
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile
SMILESCc1nc(C)c(C(C#N)N2CCC(F)(F)CC2)o1
InChIInChI=1S/C12H15F2N3O/c1-8-11(18-9(2)16-8)10(7-15)17-5-3-12(13,14)4-6-17/h10H,3-6H2,1-2H3
InChIKeyMKAWIPJRPKGSMU-UHFFFAOYSA-N
XLogP2.59
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.59
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-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile (CID 118297242) is 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile is Cc1nc(C)c(C(C#N)N2CCC(F)(F)CC2)o1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile?
The InChIKey is MKAWIPJRPKGSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-8-11(18-9(2)16-8)10(7-15)17-5-3-12(13,14)4-6-17/h10H,3-6H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile has a molecular weight of 255.27 g/mol, XLogP of 2.59, 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-(2,4-dimethyl-1,3-oxazol-5-yl)acetonitrile is sourced from PubChem (CID 118297242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).