4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole

C8H10F2N2O — CID 84770649

IUPAC4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESFC(F)c1coc(C2CCNC2)n1
InChIInChI=1S/C8H10F2N2O/c9-7(10)6-4-13-8(12-6)5-1-2-11-3-5/h4-5,7,11H,1-3H2
InChIKeyHVFRWUSJEATJJO-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.69
Rot. Bonds2

About 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole

4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 84770649) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID84770649
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESFC(F)c1coc(C2CCNC2)n1
InChIInChI=1S/C8H10F2N2O/c9-7(10)6-4-13-8(12-6)5-1-2-11-3-5/h4-5,7,11H,1-3H2
InChIKeyHVFRWUSJEATJJO-UHFFFAOYSA-N
XLogP1.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84765750
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115033401
2-(2-piperidin-3-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115082647
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115025819
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)acetaldehyde
CID 115082035
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 105490713
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 115036792
2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
CID 162343207
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 54573513

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole (CID 84770649) is 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole is FC(F)c1coc(C2CCNC2)n1.
What is the InChIKey of 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is HVFRWUSJEATJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-7(10)6-4-13-8(12-6)5-1-2-11-3-5/h4-5,7,11H,1-3H2.
What are the key properties of 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 188.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 84770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).