5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole

C10H14F2N2O — CID 84784625

IUPAC5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCC(F)(F)c1cnc(CC2CCCN2)o1
InChIInChI=1S/C10H14F2N2O/c1-10(11,12)8-6-14-9(15-8)5-7-3-2-4-13-7/h6-7,13H,2-5H2,1H3
InChIKeyVOAOOSVOOPRCBG-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.08
Rot. Bonds3

About 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole

5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (PubChem CID 84784625) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
PubChem CID84784625
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCC(F)(F)c1cnc(CC2CCCN2)o1
InChIInChI=1S/C10H14F2N2O/c1-10(11,12)8-6-14-9(15-8)5-7-3-2-4-13-7/h6-7,13H,2-5H2,1H3
InChIKeyVOAOOSVOOPRCBG-UHFFFAOYSA-N
XLogP2.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84782347
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84795515
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616786
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974786
5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 117231618
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-5-tert-butyl-1,3-oxazole
CID 102682683
2-[[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrrolidine
CID 117455379
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
2-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]pyrrolidine
CID 117359803
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (CID 84784625) is 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is CC(F)(F)c1cnc(CC2CCCN2)o1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The InChIKey is VOAOOSVOOPRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-10(11,12)8-6-14-9(15-8)5-7-3-2-4-13-7/h6-7,13H,2-5H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole has a molecular weight of 216.23 g/mol, XLogP of 2.08, 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)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84784625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).