2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole

C14H18F2N4O — CID 156610701

IUPAC2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CC(F)(F)CN2Cc2cccn2C)o1
InChIInChI=1S/C14H18F2N4O/c1-3-12-17-18-13(21-12)11-7-14(15,16)9-20(11)8-10-5-4-6-19(10)2/h4-6,11H,3,7-9H2,1-2H3
InChIKeyYMLUDRMGKAHZOP-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.55
Rot. Bonds4

About 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole

2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 156610701) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole
PubChem CID156610701
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CC(F)(F)CN2Cc2cccn2C)o1
InChIInChI=1S/C14H18F2N4O/c1-3-12-17-18-13(21-12)11-7-14(15,16)9-20(11)8-10-5-4-6-19(10)2/h4-6,11H,3,7-9H2,1-2H3
InChIKeyYMLUDRMGKAHZOP-UHFFFAOYSA-N
XLogP2.55
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole (CID 156610701) is 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(C2CC(F)(F)CN2Cc2cccn2C)o1.
What is the InChIKey of 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is YMLUDRMGKAHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-3-12-17-18-13(21-12)11-7-14(15,16)9-20(11)8-10-5-4-6-19(10)2/h4-6,11H,3,7-9H2,1-2H3.
What are the key properties of 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole?
2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 296.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 156610701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).