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

C12H18F2N2O — CID 84802591

IUPAC5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESCc1nc(CC2CCNCC2)oc1C(C)(F)F
InChIInChI=1S/C12H18F2N2O/c1-8-11(12(2,13)14)17-10(16-8)7-9-3-5-15-6-4-9/h9,15H,3-7H2,1-2H3
InChIKeyHTAQTLPPDDBVTN-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.64
Rot. Bonds3

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

5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole (PubChem CID 84802591) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole
PubChem CID84802591
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESCc1nc(CC2CCNCC2)oc1C(C)(F)F
InChIInChI=1S/C12H18F2N2O/c1-8-11(12(2,13)14)17-10(16-8)7-9-3-5-15-6-4-9/h9,15H,3-7H2,1-2H3
InChIKeyHTAQTLPPDDBVTN-UHFFFAOYSA-N
XLogP2.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole (CID 84802591) is 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole is Cc1nc(CC2CCNCC2)oc1C(C)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The InChIKey is HTAQTLPPDDBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-8-11(12(2,13)14)17-10(16-8)7-9-3-5-15-6-4-9/h9,15H,3-7H2,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole?
5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole has a molecular weight of 244.28 g/mol, XLogP of 2.64, 3 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-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84802591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).