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

C9H12F2N2O — CID 84776680

IUPAC5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESCc1nc(C2CCNC2)oc1C(F)F
InChIInChI=1S/C9H12F2N2O/c1-5-7(8(10)11)14-9(13-5)6-2-3-12-4-6/h6,8,12H,2-4H2,1H3
InChIKeyFEJJMFCGEOBOEZ-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.00
Rot. Bonds2

About 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole

5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 84776680) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID84776680
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESCc1nc(C2CCNC2)oc1C(F)F
InChIInChI=1S/C9H12F2N2O/c1-5-7(8(10)11)14-9(13-5)6-2-3-12-4-6/h6,8,12H,2-4H2,1H3
InChIKeyFEJJMFCGEOBOEZ-UHFFFAOYSA-N
XLogP2.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole (CID 84776680) is 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole is Cc1nc(C2CCNC2)oc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is FEJJMFCGEOBOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-5-7(8(10)11)14-9(13-5)6-2-3-12-4-6/h6,8,12H,2-4H2,1H3.
What are the key properties of 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 202.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 84776680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).