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

C9H12F2N2O — CID 84776687

IUPAC5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole
SMILESFC(F)c1cnc(CC2CCNC2)o1
InChIInChI=1S/C9H12F2N2O/c10-9(11)7-5-13-8(14-7)3-6-1-2-12-4-6/h5-6,9,12H,1-4H2
InChIKeyICADNVDCQWCEPG-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.76
Rot. Bonds3

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

5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole (PubChem CID 84776687) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole
PubChem CID84776687
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole
SMILESFC(F)c1cnc(CC2CCNC2)o1
InChIInChI=1S/C9H12F2N2O/c10-9(11)7-5-13-8(14-7)3-6-1-2-12-4-6/h5-6,9,12H,1-4H2
InChIKeyICADNVDCQWCEPG-UHFFFAOYSA-N
XLogP1.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole (CID 84776687) is 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole is FC(F)c1cnc(CC2CCNC2)o1.
What is the InChIKey of 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
The InChIKey is ICADNVDCQWCEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)7-5-13-8(14-7)3-6-1-2-12-4-6/h5-6,9,12H,1-4H2.
What are the key properties of 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole has a molecular weight of 202.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84776687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).