3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol

C17H20F2N2O2 — CID 132992936

IUPAC3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
SMILESCc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1
InChIInChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3
InChIKeyASWANVCVFDVNLN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.90
Rot. Bonds3

About 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol

3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol (PubChem CID 132992936) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol.

Molecular Properties

Compound Name3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
PubChem CID132992936
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
SMILESCc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1
InChIInChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3
InChIKeyASWANVCVFDVNLN-UHFFFAOYSA-N
XLogP3.90
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol?
The IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol (CID 132992936) is 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol.
What is the SMILES notation for 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol?
The canonical SMILES for 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol is Cc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1.
What is the InChIKey of 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol?
The InChIKey is ASWANVCVFDVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3.
What are the key properties of 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol?
3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol has a molecular weight of 322.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol is sourced from PubChem (CID 132992936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).