2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole

C7H9FN2O — CID 67445067

IUPAC2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole
SMILESF[C@H]1CN[C@H](c2ncco2)C1
InChIInChI=1S/C7H9FN2O/c8-5-3-6(10-4-5)7-9-1-2-11-7/h1-2,5-6,10H,3-4H2/t5-,6+/m1/s1
InChIKeyRWMPNQXGAMHCCO-RITPCOANSA-N
MW156.16 g/mol
LogP1.05
Rot. Bonds1

About 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole

2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole (PubChem CID 67445067) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole
PubChem CID67445067
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole
SMILESF[C@H]1CN[C@H](c2ncco2)C1
InChIInChI=1S/C7H9FN2O/c8-5-3-6(10-4-5)7-9-1-2-11-7/h1-2,5-6,10H,3-4H2/t5-,6+/m1/s1
InChIKeyRWMPNQXGAMHCCO-RITPCOANSA-N
XLogP1.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole (CID 67445067) is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole is F[C@H]1CN[C@H](c2ncco2)C1.
What is the InChIKey of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is RWMPNQXGAMHCCO-RITPCOANSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-5-3-6(10-4-5)7-9-1-2-11-7/h1-2,5-6,10H,3-4H2/t5-,6+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole?
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 156.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 67445067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).