(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one

C18H14FN3O3 — CID 96527278

IUPAC(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one
SMILESO=C1[C@H](Oc2ccc(-c3nnco3)cc2)CCN1c1ccccc1F
InChIInChI=1S/C18H14FN3O3/c19-14-3-1-2-4-15(14)22-10-9-16(18(22)23)25-13-7-5-12(6-8-13)17-21-20-11-24-17/h1-8,11,16H,9-10H2/t16-/m1/s1
InChIKeyWOYGFRWSALCBCB-MRXNPFEDSA-N
MW339.33 g/mol
LogP3.06
Rot. Bonds4

About (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one

(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one (PubChem CID 96527278) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one
PubChem CID96527278
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one
SMILESO=C1[C@H](Oc2ccc(-c3nnco3)cc2)CCN1c1ccccc1F
InChIInChI=1S/C18H14FN3O3/c19-14-3-1-2-4-15(14)22-10-9-16(18(22)23)25-13-7-5-12(6-8-13)17-21-20-11-24-17/h1-8,11,16H,9-10H2/t16-/m1/s1
InChIKeyWOYGFRWSALCBCB-MRXNPFEDSA-N
XLogP3.06
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one (CID 96527278) is (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one is O=C1[C@H](Oc2ccc(-c3nnco3)cc2)CCN1c1ccccc1F.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one?
The InChIKey is WOYGFRWSALCBCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-14-3-1-2-4-15(14)22-10-9-16(18(22)23)25-13-7-5-12(6-8-13)17-21-20-11-24-17/h1-8,11,16H,9-10H2/t16-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one?
(3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one has a molecular weight of 339.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyrrolidin-2-one is sourced from PubChem (CID 96527278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).