5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole

C11H16F2N2O — CID 84793594

IUPAC5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1nc(C2CCNCC2)oc1C(C)(F)F
InChIInChI=1S/C11H16F2N2O/c1-7-9(11(2,12)13)16-10(15-7)8-3-5-14-6-4-8/h8,14H,3-6H2,1-2H3
InChIKeyKQERYRXKGODUME-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.56
Rot. Bonds2

About 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole

5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole (PubChem CID 84793594) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
PubChem CID84793594
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1nc(C2CCNCC2)oc1C(C)(F)F
InChIInChI=1S/C11H16F2N2O/c1-7-9(11(2,12)13)16-10(15-7)8-3-5-14-6-4-8/h8,14H,3-6H2,1-2H3
InChIKeyKQERYRXKGODUME-UHFFFAOYSA-N
XLogP2.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84802591
4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole
CID 105479693
5-methoxy-4-methyl-2-piperidin-4-yl-1,3-oxazole
CID 105449938
methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
CID 178200025
5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
CID 105462175
5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84795505
5-phenyl-2-piperidin-4-yl-4-(trifluoromethyl)-1,3-oxazole
CID 174567175
4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84795509
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 105493991
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole (CID 84793594) is 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole is Cc1nc(C2CCNCC2)oc1C(C)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is KQERYRXKGODUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-7-9(11(2,12)13)16-10(15-7)8-3-5-14-6-4-8/h8,14H,3-6H2,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 230.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 84793594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).