3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

C15H15F2N3O3 — CID 97227144

IUPAC3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn([C@@H]2CCN(c3c(F)cccc3F)C2=O)c(=O)o1
InChIInChI=1S/C15H15F2N3O3/c1-2-4-12-18-20(15(22)23-12)11-7-8-19(14(11)21)13-9(16)5-3-6-10(13)17/h3,5-6,11H,2,4,7-8H2,1H3/t11-/m1/s1
InChIKeyAVEUIMCDSSGQDQ-LLVKDONJSA-N
MW323.30 g/mol
LogP2.05
Rot. Bonds4

About 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 97227144) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID97227144
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn([C@@H]2CCN(c3c(F)cccc3F)C2=O)c(=O)o1
InChIInChI=1S/C15H15F2N3O3/c1-2-4-12-18-20(15(22)23-12)11-7-8-19(14(11)21)13-9(16)5-3-6-10(13)17/h3,5-6,11H,2,4,7-8H2,1H3/t11-/m1/s1
InChIKeyAVEUIMCDSSGQDQ-LLVKDONJSA-N
XLogP2.05
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (CID 97227144) is 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn([C@@H]2CCN(c3c(F)cccc3F)C2=O)c(=O)o1.
What is the InChIKey of 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is AVEUIMCDSSGQDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-2-4-12-18-20(15(22)23-12)11-7-8-19(14(11)21)13-9(16)5-3-6-10(13)17/h3,5-6,11H,2,4,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 323.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 97227144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).