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

C8H11FN2O — CID 84765750

IUPAC4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESFCc1coc(C2CCNC2)n1
InChIInChI=1S/C8H11FN2O/c9-3-7-5-12-8(11-7)6-1-2-10-4-6/h5-6,10H,1-4H2
InChIKeyCLTZHKSMNVEWAE-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.22
Rot. Bonds2

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

4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 84765750) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID84765750
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESFCc1coc(C2CCNC2)n1
InChIInChI=1S/C8H11FN2O/c9-3-7-5-12-8(11-7)6-1-2-10-4-6/h5-6,10H,1-4H2
InChIKeyCLTZHKSMNVEWAE-UHFFFAOYSA-N
XLogP1.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole (CID 84765750) is 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole is FCc1coc(C2CCNC2)n1.
What is the InChIKey of 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is CLTZHKSMNVEWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-3-7-5-12-8(11-7)6-1-2-10-4-6/h5-6,10H,1-4H2.
What are the key properties of 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole?
4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 170.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 84765750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).