5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole

C11H17FN2O — CID 84782347

IUPAC5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCC(C)(F)c1cnc(CC2CCCN2)o1
InChIInChI=1S/C11H17FN2O/c1-11(2,12)9-7-14-10(15-9)6-8-4-3-5-13-8/h7-8,13H,3-6H2,1-2H3
InChIKeyNRGGZNZUEKPXHP-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.17
Rot. Bonds3

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

5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (PubChem CID 84782347) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
PubChem CID84782347
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCC(C)(F)c1cnc(CC2CCCN2)o1
InChIInChI=1S/C11H17FN2O/c1-11(2,12)9-7-14-10(15-9)6-8-4-3-5-13-8/h7-8,13H,3-6H2,1-2H3
InChIKeyNRGGZNZUEKPXHP-UHFFFAOYSA-N
XLogP2.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84784625
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
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
CID 125493206
2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine
CID 116840169
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (CID 84782347) is 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is CC(C)(F)c1cnc(CC2CCCN2)o1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The InChIKey is NRGGZNZUEKPXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-11(2,12)9-7-14-10(15-9)6-8-4-3-5-13-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole has a molecular weight of 212.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84782347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).